N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C19H19N3O2S — CID 28560675

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C19H19N3O2S/c1-12(15-8-4-5-9-16(15)24-3)21-18(23)17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-12H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQMFWQXBAZGEKAD-GFCCVEGCSA-N
MW353.45 g/mol
LogP4.01
Rot. Bonds5

About N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 28560675) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID28560675
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESCOc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccnc2)nc1C
InChIInChI=1S/C19H19N3O2S/c1-12(15-8-4-5-9-16(15)24-3)21-18(23)17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-12H,1-3H3,(H,21,23)/t12-/m1/s1
InChIKeyQMFWQXBAZGEKAD-GFCCVEGCSA-N
XLogP4.01
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N-[1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 19616981
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 29092301
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 30134184
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458
N-[1-(2,4-dimethoxyphenyl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134053732
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
2-(3,4-dimethoxyphenyl)-4-methyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 51231531
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 40815392

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 28560675) is N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is COc1ccccc1[C@@H](C)NC(=O)c1sc(-c2cccnc2)nc1C.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is QMFWQXBAZGEKAD-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12(15-8-4-5-9-16(15)24-3)21-18(23)17-13(2)22-19(25-17)14-7-6-10-20-11-14/h4-12H,1-3H3,(H,21,23)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]-4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 28560675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).