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

C19H19N3OS — CID 49318983

IUPAC2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(c2ccccc2)c2ccccn2)s1
InChIInChI=1S/C19H19N3OS/c1-3-16-21-13(2)18(24-16)19(23)22-17(14-9-5-4-6-10-14)15-11-7-8-12-20-15/h4-12,17H,3H2,1-2H3,(H,22,23)
InChIKeyPCKBGKILDKBGPI-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.93
Rot. Bonds5

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

2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 49318983) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID49318983
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NC(c2ccccc2)c2ccccn2)s1
InChIInChI=1S/C19H19N3OS/c1-3-16-21-13(2)18(24-16)19(23)22-17(14-9-5-4-6-10-14)15-11-7-8-12-20-15/h4-12,17H,3H2,1-2H3,(H,22,23)
InChIKeyPCKBGKILDKBGPI-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 134052697
N-[(S)-(5-amino-1,3,4-thiadiazol-2-yl)-phenylmethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 95128825
4-methyl-N-[phenyl(pyridin-2-yl)methyl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 171678664
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
2,3-dimethyl-N-[phenyl(pyridin-2-yl)methyl]quinoxaline-6-carboxamide
CID 134052696
2-tert-butyl-4,5-dimethyl-N-[phenyl(pyridin-2-yl)methyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 46517817
N-[(R)-phenyl(pyridin-2-yl)methyl]-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 52517313
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2-amino-4-methyl-N-(1-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 62793747
3,5-dimethoxy-N-[(R)-phenyl(pyridin-2-yl)methyl]benzamide
CID 25392445
2-methyl-N-[phenyl(pyridin-2-yl)methyl]furan-3-carboxamide
CID 46554509
(2-ethyl-4-methyl-1,3-thiazol-5-yl)-[4-[(R)-hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]methanone
CID 125171269

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide (CID 49318983) is 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)NC(c2ccccc2)c2ccccn2)s1.
What is the InChIKey of 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PCKBGKILDKBGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-3-16-21-13(2)18(24-16)19(23)22-17(14-9-5-4-6-10-14)15-11-7-8-12-20-15/h4-12,17H,3H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide?
2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 337.45 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-methyl-N-[phenyl(pyridin-2-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 49318983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).