N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide

C13H14N2OS — CID 110465518

IUPACN-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)c(C)s1
InChIInChI=1S/C13H14N2OS/c1-9-12(15-10(2)17-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyIUGHEOSZFSNSJU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.69
Rot. Bonds3

About N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide

N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 110465518) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID110465518
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC NameN-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCc2ccccc2)c(C)s1
InChIInChI=1S/C13H14N2OS/c1-9-12(15-10(2)17-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16)
InChIKeyIUGHEOSZFSNSJU-UHFFFAOYSA-N
XLogP2.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465620
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-3-phenylpropanoic acid
CID 120512144
2,5-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 110474283
N-benzyl-2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 91573654
N-benzyl-2-methyl-1,3-benzothiazole-6-carboxamide
CID 3154693
2-(2-aminoethyl)-N-[3-(benzylamino)-3-oxopropyl]-5-methyl-1,3-thiazole-4-carboxamide
CID 154845219
3-[3-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]phenyl]propanoic acid
CID 120538137
N-benzyl-4-methyl-1,3-thiazole-2-carboxamide
CID 10399050
N-[2-(4-fluorophenyl)ethyl]-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110465627
N-(2-tert-butylphenyl)-2,5-dimethyl-1,3-thiazole-4-carboxamide
CID 110858372
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
N-benzyl-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037018

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide (CID 110465518) is N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCc2ccccc2)c(C)s1.
What is the InChIKey of N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is IUGHEOSZFSNSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-9-12(15-10(2)17-9)13(16)14-8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,14,16).
What are the key properties of N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide?
N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 246.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,5-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 110465518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).