N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide

C14H16N4O2S — CID 66376845

IUPACN-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-8-3-4-10(16-9(2)19)5-11(8)18-14(20)12-7-21-13(6-15)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyLQYWKDSKLJYYEX-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.12
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide

N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66376845) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
PubChem CID66376845
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C14H16N4O2S/c1-8-3-4-10(16-9(2)19)5-11(8)18-14(20)12-7-21-13(6-15)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,19)(H,18,20)
InChIKeyLQYWKDSKLJYYEX-UHFFFAOYSA-N
XLogP2.12
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(aminomethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylbenzoic acid
CID 66378065
N-(5-acetamido-2-methoxyphenyl)-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120617186
N-(5-acetamido-2-methylphenyl)-2-[2-(2-aminoethyl)-1,3-thiazol-4-yl]acetamide
CID 110450916
2-(aminomethyl)-N-(3-bromo-4-iodophenyl)-1,3-thiazole-4-carboxamide
CID 113266598
2-(aminomethyl)-N-(4-bromo-3,5-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 107574146
2-(aminomethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66378569
2-(aminomethyl)-N-(4-ethoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119739998
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
2-(aminomethyl)-N-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 66377615
2-(aminomethyl)-N-[2-methyl-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 119842674
2-(aminomethyl)-N-(4-butoxy-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 119739426
2-(aminomethyl)-N-(2-chloro-5-iodophenyl)-1,3-thiazole-4-carboxamide
CID 114259758

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide (CID 66376845) is N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2csc(CN)n2)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LQYWKDSKLJYYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-3-4-10(16-9(2)19)5-11(8)18-14(20)12-7-21-13(6-15)17-12/h3-5,7H,6,15H2,1-2H3,(H,16,19)(H,18,20).
What are the key properties of N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide?
N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-2-(aminomethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66376845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).