(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C19H20N6O2S — CID 51598314

IUPAC(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)Cn4cncn4)n3)c2c1
InChIInChI=1S/C19H20N6O2S/c1-11(7-25-10-20-9-21-25)18(26)24-19-23-16(8-28-19)17-12(2)22-15-5-4-13(27-3)6-14(15)17/h4-6,8-11,22H,7H2,1-3H3,(H,23,24,26)/t11-/m1/s1
InChIKeyDTSYNVNNSAFDGB-LLVKDONJSA-N
MW396.48 g/mol
LogP3.47
Rot. Bonds6

About (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 51598314) has the molecular formula C19H20N6O2S and a molecular weight of 396.48 g/mol. Its IUPAC name is (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID51598314
Molecular FormulaC19H20N6O2S
Molecular Weight396.48 g/mol
Exact Mass396.14
IUPAC Name(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)Cn4cncn4)n3)c2c1
InChIInChI=1S/C19H20N6O2S/c1-11(7-25-10-20-9-21-25)18(26)24-19-23-16(8-28-19)17-12(2)22-15-5-4-13(27-3)6-14(15)17/h4-6,8-11,22H,7H2,1-3H3,(H,23,24,26)/t11-/m1/s1
InChIKeyDTSYNVNNSAFDGB-LLVKDONJSA-N
XLogP3.47
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-morpholin-4-ylpropanamide
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4-(5-methoxy-2-methyl-1H-indol-3-yl)-N-(3-methylcyclohexyl)-1,3-thiazol-2-amine
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3-acetamido-3-(4-methoxyphenyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]propanamide
CID 42931144
(2S)-2-acetamido-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 46969745
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119679949
6-methoxy-2-(5-methoxy-2-methyl-1H-indol-3-yl)quinoline
CID 18729716
2-[(8-methoxy-5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 112776213
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
(2S)-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-imidazol-1-ylpropanamide
CID 51583896
tert-butyl N-[[(5S)-5-[[2-(5-methoxy-2-methyl-1H-indol-3-yl)acetyl]amino]-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]sulfamoyl]carbamate
CID 59028850
2,6-difluoro-N-[(2S)-3-methyl-1-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]benzamide
CID 24568899
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 51598314) is (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is COc1ccc2[nH]c(C)c(-c3csc(NC(=O)[C@H](C)Cn4cncn4)n3)c2c1.
What is the InChIKey of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is DTSYNVNNSAFDGB-LLVKDONJSA-N. The full InChI is InChI=1S/C19H20N6O2S/c1-11(7-25-10-20-9-21-25)18(26)24-19-23-16(8-28-19)17-12(2)22-15-5-4-13(27-3)6-14(15)17/h4-6,8-11,22H,7H2,1-3H3,(H,23,24,26)/t11-/m1/s1.
What are the key properties of (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
(2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 396.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 51598314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).