4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C19H19N3OS — CID 9457265

IUPAC4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(15-8-4-3-5-9-15)12-21-18(23)17-14(2)22-19(24-17)16-10-6-7-11-20-16/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyQJWIYGUTFFRBTJ-CYBMUJFWSA-N
MW337.45 g/mol
LogP4.05
Rot. Bonds5

About 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 9457265) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID9457265
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-13(15-8-4-3-5-9-15)12-21-18(23)17-14(2)22-19(24-17)16-10-6-7-11-20-16/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1
InChIKeyQJWIYGUTFFRBTJ-CYBMUJFWSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18161856
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
4-methyl-N-[(1R)-1-(3-propan-2-yloxyphenyl)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 51950170
4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 9457265) is 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NC[C@@H](C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QJWIYGUTFFRBTJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-13(15-8-4-3-5-9-15)12-21-18(23)17-14(2)22-19(24-17)16-10-6-7-11-20-16/h3-11,13H,12H2,1-2H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9457265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).