N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate

C120H132N16O11S4 — CID 157122379

IUPACN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate
SMILESCC(=O)CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.COC(=O)CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1
InChIInChI=1S/C31H34N4O4S.C31H34N4O3S.2C29H32N4O2S/c1-19(2)39-27-10-7-21(16-22(27)17-32)30-33-18-28(40-30)25-6-4-5-24-23(25)8-9-26(24)34-31(37)35-13-11-20(12-14-35)15-29(36)38-3;1-19(2)38-28-10-7-22(16-23(28)17-32)30-33-18-29(39-30)26-6-4-5-25-24(26)8-9-27(25)34-31(37)35-13-11-21(12-14-35)15-20(3)36;2*1-18(2)35-26-10-7-20(15-21(26)16-30)28-31-17-27(36-28)24-6-4-5-23-22(24)8-9-25(23)32-29(34)33-13-11-19(3)12-14-33/h4-7,10,16,18-20,26H,8-9,11-15H2,1-3H3,(H,34,37);4-7,10,16,18-19,21,27H,8-9,11-15H2,1-3H3,(H,34,37);2*4-7,10,15,17-19,25H,8-9,11-14H2,1-3H3,(H,32,34)/t26-;27-;2*25-/m1010/s1
InChIKeyAICXDNTXVSNQLA-VIGVSIDUSA-N
MW2102.74 g/mol
LogP25.76
Rot. Bonds24

About N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate

N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate (PubChem CID 157122379) has the molecular formula C120H132N16O11S4 and a molecular weight of 2102.74 g/mol. Its IUPAC name is N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate.

Molecular Properties

Compound NameN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate
PubChem CID157122379
Molecular FormulaC120H132N16O11S4
Molecular Weight2102.74 g/mol
Exact Mass2100.91
IUPAC NameN-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate
SMILESCC(=O)CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.COC(=O)CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1
InChIInChI=1S/C31H34N4O4S.C31H34N4O3S.2C29H32N4O2S/c1-19(2)39-27-10-7-21(16-22(27)17-32)30-33-18-28(40-30)25-6-4-5-24-23(25)8-9-26(24)34-31(37)35-13-11-20(12-14-35)15-29(36)38-3;1-19(2)38-28-10-7-22(16-23(28)17-32)30-33-18-29(39-30)26-6-4-5-25-24(26)8-9-27(25)34-31(37)35-13-11-21(12-14-35)15-20(3)36;2*1-18(2)35-26-10-7-20(15-21(26)16-30)28-31-17-27(36-28)24-6-4-5-23-22(24)8-9-25(23)32-29(34)33-13-11-19(3)12-14-33/h4-7,10,16,18-20,26H,8-9,11-15H2,1-3H3,(H,34,37);4-7,10,16,18-19,21,27H,8-9,11-15H2,1-3H3,(H,34,37);2*4-7,10,15,17-19,25H,8-9,11-14H2,1-3H3,(H,32,34)/t26-;27-;2*25-/m1010/s1
InChIKeyAICXDNTXVSNQLA-VIGVSIDUSA-N
XLogP25.76
TPSA356.37 Ų
H-Bond Donors4
H-Bond Acceptors23
Rotatable Bonds24
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002102.74
LogP ≤ 525.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1023

Analyze N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate?
The IUPAC name of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate (CID 157122379) is N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate.
What is the SMILES notation for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate?
The canonical SMILES for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate is CC(=O)CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.CC1CCN(C(=O)N[C@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.COC(=O)CC1CCN(C(=O)N[C@@H]2CCc3c(-c4cnc(-c5ccc(OC(C)C)c(C#N)c5)s4)cccc32)CC1.
What is the InChIKey of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate?
The InChIKey is AICXDNTXVSNQLA-VIGVSIDUSA-N. The full InChI is InChI=1S/C31H34N4O4S.C31H34N4O3S.2C29H32N4O2S/c1-19(2)39-27-10-7-21(16-22(27)17-32)30-33-18-28(40-30)25-6-4-5-24-23(25)8-9-26(24)34-31(37)35-13-11-20(12-14-35)15-29(36)38-3;1-19(2)38-28-10-7-22(16-23(28)17-32)30-33-18-29(39-30)26-6-4-5-25-24(26)8-9-27(25)34-31(37)35-13-11-21(12-14-35)15-20(3)36;2*1-18(2)35-26-10-7-20(15-21(26)16-30)28-31-17-27(36-28)24-6-4-5-23-22(24)8-9-25(23)32-29(34)33-13-11-19(3)12-14-33/h4-7,10,16,18-20,26H,8-9,11-15H2,1-3H3,(H,34,37);4-7,10,16,18-19,21,27H,8-9,11-15H2,1-3H3,(H,34,37);2*4-7,10,15,17-19,25H,8-9,11-14H2,1-3H3,(H,32,34)/t26-;27-;2*25-/m1010/s1.
What are the key properties of N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate?
N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate has a molecular weight of 2102.74 g/mol, XLogP of 25.76, 24 rotatable bonds, 4 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-methylpiperidine-1-carboxamide;N-[(1S)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]-4-(2-oxopropyl)piperidine-1-carboxamide;methyl 2-[1-[[(1R)-4-[2-(3-cyano-4-propan-2-yloxyphenyl)-1,3-thiazol-5-yl]-2,3-dihydro-1H-inden-1-yl]carbamoyl]piperidin-4-yl]acetate is sourced from PubChem (CID 157122379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).