(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

C17H19N5O2S — CID 124847125

IUPAC(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@@H](C)Cn3cncn3)s2)c1
InChIInChI=1S/C17H19N5O2S/c1-12(9-22-11-18-10-21-22)16(23)19-7-15-8-20-17(25-15)13-4-3-5-14(6-13)24-2/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyKESZSOAMQCSNOE-LBPRGKRZSA-N
MW357.44 g/mol
LogP2.36
Rot. Bonds7

About (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide

(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 124847125) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID124847125
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
SMILESCOc1cccc(-c2ncc(CNC(=O)[C@@H](C)Cn3cncn3)s2)c1
InChIInChI=1S/C17H19N5O2S/c1-12(9-22-11-18-10-21-22)16(23)19-7-15-8-20-17(25-15)13-4-3-5-14(6-13)24-2/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,23)/t12-/m0/s1
InChIKeyKESZSOAMQCSNOE-LBPRGKRZSA-N
XLogP2.36
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2H-triazole-4-carboxamide
CID 56892863
cis-(1R,3S)-3-amino-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]cyclopentane-1-carboxamide
CID 133136628
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 131921625
(2S)-N-(4-methoxyphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563469
2-methoxy-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 82424209
(2R)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]morpholine-2-carboxamide
CID 95868234
5-(chloromethyl)-2-(3-methoxyphenyl)-1,3-thiazole;hydrochloride
CID 54759132
2-cyclopropyl-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70768557
4-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-1-methylpiperazine-2-carboxylic acid
CID 135095144
(2S)-N-(3-acetylphenyl)-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 42563471
N-[(3-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 78780331
tert-butyl N-[3-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]amino]-2-methyl-3-oxopropyl]carbamate
CID 155271868

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide (CID 124847125) is (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is COc1cccc(-c2ncc(CNC(=O)[C@@H](C)Cn3cncn3)s2)c1.
What is the InChIKey of (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is KESZSOAMQCSNOE-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-12(9-22-11-18-10-21-22)16(23)19-7-15-8-20-17(25-15)13-4-3-5-14(6-13)24-2/h3-6,8,10-12H,7,9H2,1-2H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide?
(2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 357.44 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 124847125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).