N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide

C26H29N3O4S — CID 25315223

IUPACN-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30)/t22-,23-/m0/s1
InChIKeyAVHIORPNBWFSPS-GOTSBHOMSA-N
MW479.60 g/mol
LogP4.45
Rot. Bonds8

About N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide

N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 25315223) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID25315223
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC NameN-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1
InChIInChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30)/t22-,23-/m0/s1
InChIKeyAVHIORPNBWFSPS-GOTSBHOMSA-N
XLogP4.45
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315235
2,4-dimethyl-N-(3-methylphenyl)-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315140
N-(3,4-dimethylphenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215347
N-(4-fluorophenyl)-2,4-dimethyl-N-[2-oxo-2-(oxolan-2-ylmethylamino)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 3215354
N-(3-chloro-4-fluorophenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 1457749
N-(2-fluorophenyl)-2,4-dimethyl-N-[(1R)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 1457770
N-(2,5-dimethylphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 25315115
N-[2-(2-methoxyethylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 3226640
N-[(1S)-2-(cyclohexylamino)-2-oxo-1-phenylethyl]-2,4-dimethyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 1457868
2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-2-(4-ethoxyphenyl)-N-(oxolan-2-ylmethyl)acetamide
CID 3191485
(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 98098730
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-methoxyanilino)-N-[[(2S)-oxolan-2-yl]methyl]-2-(4-propan-2-ylphenyl)acetamide
CID 98098729

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide (CID 25315223) is N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide is COc1cccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is AVHIORPNBWFSPS-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-17-24(34-18(2)28-17)26(31)29(20-11-7-12-21(15-20)32-3)23(19-9-5-4-6-10-19)25(30)27-16-22-13-8-14-33-22/h4-7,9-12,15,22-23H,8,13-14,16H2,1-3H3,(H,27,30)/t22-,23-/m0/s1.
What are the key properties of N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide?
N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2,4-dimethyl-N-[(1S)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]-1-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 25315223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).