N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C17H15N3OS — CID 9138512

IUPACN-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-15(16(21)19-11-13-7-3-2-4-8-13)22-17(20-12)14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUDSAASPJFCZBON-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.44
Rot. Bonds4

About N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 9138512) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID9138512
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC NameN-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C17H15N3OS/c1-12-15(16(21)19-11-13-7-3-2-4-8-13)22-17(20-12)14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,19,21)
InChIKeyUDSAASPJFCZBON-UHFFFAOYSA-N
XLogP3.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-2-(4-methyl-2-pyridin-2-yl-1,3-thiazol-5-yl)acetamide
CID 110328924
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55798848
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134027846
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 26953998
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
4-methyl-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 25400607

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 9138512) is N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UDSAASPJFCZBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c1-12-15(16(21)19-11-13-7-3-2-4-8-13)22-17(20-12)14-9-5-6-10-18-14/h2-10H,11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 9138512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).