4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide

C18H20N4O4S — CID 29132066

IUPAC4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3nccs3)n(C)c2c1
InChIInChI=1S/C18H20N4O4S/c1-10(16(23)21-18-19-5-6-27-18)20-17(24)14-9-12-13(22(14)2)7-11(25-3)8-15(12)26-4/h5-10H,1-4H3,(H,20,24)(H,19,21,23)/t10-/m0/s1
InChIKeyOOJDMWJCVSCUFF-JTQLQIEISA-N
MW388.45 g/mol
LogP2.41
Rot. Bonds6

About 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide

4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide (PubChem CID 29132066) has the molecular formula C18H20N4O4S and a molecular weight of 388.45 g/mol. Its IUPAC name is 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
PubChem CID29132066
Molecular FormulaC18H20N4O4S
Molecular Weight388.45 g/mol
Exact Mass388.12
IUPAC Name4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
SMILESCOc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3nccs3)n(C)c2c1
InChIInChI=1S/C18H20N4O4S/c1-10(16(23)21-18-19-5-6-27-18)20-17(24)14-9-12-13(22(14)2)7-11(25-3)8-15(12)26-4/h5-10H,1-4H3,(H,20,24)(H,19,21,23)/t10-/m0/s1
InChIKeyOOJDMWJCVSCUFF-JTQLQIEISA-N
XLogP2.41
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5,6,7-trimethoxy-1-methyl-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 45369804
4,6-dimethoxy-1-methyl-N-[1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 56737830
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4,6-dimethoxy-1-methylindole-2-carboxamide
CID 51819685
5-methoxy-1-methyl-N-[(2R)-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]indole-2-carboxamide
CID 51703542
N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]thiophene-2-carboxamide
CID 35966044
(2S)-2-(methylamino)-N-(1,3-thiazol-2-yl)propanamide
CID 59361268
(2R)-2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 719476
(1R)-6,7-dimethoxy-1-(4-methoxyphenyl)-N-[(2R)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 96565090
[1-(2-methoxyphenyl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]carbamic acid
CID 137352458
2-methoxy-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 41259077
5,6,7-trimethoxy-1-methyl-N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]indole-2-carboxamide
CID 96565032
2-bromo-3,4,5-trimethoxy-N-(1,3-thiazol-2-yl)benzamide
CID 1120126

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?
The IUPAC name of 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide (CID 29132066) is 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?
The canonical SMILES for 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide is COc1cc(OC)c2cc(C(=O)N[C@@H](C)C(=O)Nc3nccs3)n(C)c2c1.
What is the InChIKey of 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?
The InChIKey is OOJDMWJCVSCUFF-JTQLQIEISA-N. The full InChI is InChI=1S/C18H20N4O4S/c1-10(16(23)21-18-19-5-6-27-18)20-17(24)14-9-12-13(22(14)2)7-11(25-3)8-15(12)26-4/h5-10H,1-4H3,(H,20,24)(H,19,21,23)/t10-/m0/s1.
What are the key properties of 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide?
4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-1-methyl-N-[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]indole-2-carboxamide is sourced from PubChem (CID 29132066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).