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

C48H50N8O5S2 — CID 160766079

IUPAC2-[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
SMILESC[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)C[C@H](C)O1.C[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)O)C3)c2)C[C@H](C)O1.Nc1nccs1
InChIInChI=1S/C24H24N4O2S.C21H22N2O3.C3H4N2S/c1-15-13-28(14-16(2)30-15)19-7-3-5-17(11-19)21-12-18-6-4-8-20(22(18)26-21)23(29)27-24-25-9-10-31-24;1-13-11-23(12-14(2)26-13)17-7-3-5-15(9-17)19-10-16-6-4-8-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h3-11,15-16H,12-14H2,1-2H3,(H,25,27,29);3-9,13-14H,10-12H2,1-2H3,(H,24,25);1-2H,(H2,4,5)/t15-,16+;13-,14+;
InChIKeyRYRWAXXQRXBLCN-UQBYUQHBSA-N
MW883.11 g/mol
LogP9.09
Rot. Bonds7

About 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

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 (PubChem CID 160766079) has the molecular formula C48H50N8O5S2 and a molecular weight of 883.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160766079
Molecular FormulaC48H50N8O5S2
Molecular Weight883.11 g/mol
Exact Mass882.33
IUPAC Name2-[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
SMILESC[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)C[C@H](C)O1.C[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)O)C3)c2)C[C@H](C)O1.Nc1nccs1
InChIInChI=1S/C24H24N4O2S.C21H22N2O3.C3H4N2S/c1-15-13-28(14-16(2)30-15)19-7-3-5-17(11-19)21-12-18-6-4-8-20(22(18)26-21)23(29)27-24-25-9-10-31-24;1-13-11-23(12-14(2)26-13)17-7-3-5-15(9-17)19-10-16-6-4-8-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h3-11,15-16H,12-14H2,1-2H3,(H,25,27,29);3-9,13-14H,10-12H2,1-2H3,(H,24,25);1-2H,(H2,4,5)/t15-,16+;13-,14+;
InChIKeyRYRWAXXQRXBLCN-UQBYUQHBSA-N
XLogP9.09
TPSA167.86 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 59.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3H-indole-7-carboxylic acid;1,3-thiazol-2-amine
CID 123889472
2-(4-methyl-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(4-methyl-3-pyridinyl)-N-(5-methyl-1,3-thiazol-2-yl)-3H-indole-7-carboxamide;5-methyl-1,3-thiazol-2-amine
CID 157707923
2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158319822
2-(2-methylphenyl)-5-morpholin-4-yl-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-5-morpholin-4-yl-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 158673114
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-[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
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
2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-morpholin-4-ylphenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 160957646
2-(2-methylphenyl)-3H-indole-7-carboxylic acid;2-(2-methylphenyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161369882
2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-3H-indole-7-carboxylic acid;2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161430839
2-[2-(difluoromethyl)-4-fluorophenyl]-3H-indole-7-carboxylic acid;2-[2-(difluoromethyl)-4-fluorophenyl]-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
CID 161481808

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)Nc4nccs4)C3)c2)C[C@H](C)O1.C[C@@H]1CN(c2cccc(C3=Nc4c(cccc4C(=O)O)C3)c2)C[C@H](C)O1.Nc1nccs1.
What is the InChIKey of 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?
The InChIKey is RYRWAXXQRXBLCN-UQBYUQHBSA-N. The full InChI is InChI=1S/C24H24N4O2S.C21H22N2O3.C3H4N2S/c1-15-13-28(14-16(2)30-15)19-7-3-5-17(11-19)21-12-18-6-4-8-20(22(18)26-21)23(29)27-24-25-9-10-31-24;1-13-11-23(12-14(2)26-13)17-7-3-5-15(9-17)19-10-16-6-4-8-18(21(24)25)20(16)22-19;4-3-5-1-2-6-3/h3-11,15-16H,12-14H2,1-2H3,(H,25,27,29);3-9,13-14H,10-12H2,1-2H3,(H,24,25);1-2H,(H2,4,5)/t15-,16+;13-,14+;.
What are the key properties of 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?
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 has a molecular weight of 883.11 g/mol, XLogP of 9.09, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160766079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).