2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

C51H54N8O7S2 — CID 160674112

IUPAC2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccccc2C2=Nc3c(cccc3C(=O)O)C2)CC1.Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2
InChIInChI=1S/C25H28N2O5.C23H22N4O2S.C3H4N2S/c1-25(2,3)32-24(30)27-13-11-17(12-14-27)31-21-10-5-4-8-18(21)20-15-16-7-6-9-19(23(28)29)22(16)26-20;28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16;4-3-5-1-2-6-3/h4-10,17H,11-15H2,1-3H3,(H,28,29);1-7,12-13,16,24H,8-11,14H2,(H,25,27,28);1-2H,(H2,4,5)
InChIKeyRNHRYMLBHMBIES-UHFFFAOYSA-N
MW955.18 g/mol
LogP9.77
Rot. Bonds9

About 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (PubChem CID 160674112) has the molecular formula C51H54N8O7S2 and a molecular weight of 955.18 g/mol. Its IUPAC name is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

Compound Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
PubChem CID160674112
Molecular FormulaC51H54N8O7S2
Molecular Weight955.18 g/mol
Exact Mass954.36
IUPAC Name2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
SMILESCC(C)(C)OC(=O)N1CCC(Oc2ccccc2C2=Nc3c(cccc3C(=O)O)C2)CC1.Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2
InChIInChI=1S/C25H28N2O5.C23H22N4O2S.C3H4N2S/c1-25(2,3)32-24(30)27-13-11-17(12-14-27)31-21-10-5-4-8-18(21)20-15-16-7-6-9-19(23(28)29)22(16)26-20;28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16;4-3-5-1-2-6-3/h4-10,17H,11-15H2,1-3H3,(H,28,29);1-7,12-13,16,24H,8-11,14H2,(H,25,27,28);1-2H,(H2,4,5)
InChIKeyRNHRYMLBHMBIES-UHFFFAOYSA-N
XLogP9.77
TPSA202.95 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500955.18
LogP ≤ 59.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine with MolForge

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Related Compounds

tert-butyl 3-[2-[7-(1,3-thiazol-2-ylcarbamoyl)-3H-indol-2-yl]phenoxy]pyrrolidine-1-carboxylate
CID 58278732
2-[2-(2-morpholin-4-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58278912
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279083
2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279142
2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 58279392
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123169634
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123567090
tert-butyl 3-[2-[7-(1,3-thiazol-2-ylcarbamoyl)-3H-indol-2-yl]phenoxy]pyrrolidine-1-carboxylate;2-(2-pyrrolidin-3-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide
CID 157919062
chloro(diazenyl)diazene;2-[3-(2,3-dihydroxypropoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;2-[3-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;oxolane
CID 158331859
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-indole-7-carboxylic acid;2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160249261
2-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160766079
tert-butyl 3-[2-[7-(1,3-thiazol-2-ylcarbamoyl)-3H-indol-2-yl]phenoxy]pyrrolidine-1-carboxylate;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]oxyphenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 160954234

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The IUPAC name of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (CID 160674112) is 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.
What is the SMILES notation for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The canonical SMILES for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is CC(C)(C)OC(=O)N1CCC(Oc2ccccc2C2=Nc3c(cccc3C(=O)O)C2)CC1.Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccccc1OC1CCNCC1)C2.
What is the InChIKey of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
The InChIKey is RNHRYMLBHMBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5.C23H22N4O2S.C3H4N2S/c1-25(2,3)32-24(30)27-13-11-17(12-14-27)31-21-10-5-4-8-18(21)20-15-16-7-6-9-19(23(28)29)22(16)26-20;28-22(27-23-25-12-13-30-23)18-6-3-4-15-14-19(26-21(15)18)17-5-1-2-7-20(17)29-16-8-10-24-11-9-16;4-3-5-1-2-6-3/h4-10,17H,11-15H2,1-3H3,(H,28,29);1-7,12-13,16,24H,8-11,14H2,(H,25,27,28);1-2H,(H2,4,5).
What are the key properties of 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?
2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine has a molecular weight of 955.18 g/mol, XLogP of 9.77, 9 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxyphenyl]-3H-indole-7-carboxylic acid;2-(2-piperidin-4-yloxyphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 160674112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).