2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

C14H16N4O2S — CID 91766936

IUPAC2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C14H16N4O2S/c1-8-11(21-14(15)18-8)13(20)17-7-9-4-3-5-10(6-9)12(19)16-2/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyKPINYHPCLPCIJQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.32
Rot. Bonds4

About 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide

2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 91766936) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID91766936
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cccc(CNC(=O)c2sc(N)nc2C)c1
InChIInChI=1S/C14H16N4O2S/c1-8-11(21-14(15)18-8)13(20)17-7-9-4-3-5-10(6-9)12(19)16-2/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20)
InChIKeyKPINYHPCLPCIJQ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 32915631
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
methyl 3-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]methyl]benzoate
CID 71971159
2-amino-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 45058673
3-amino-N-[[3-(methylcarbamoyl)phenyl]methyl]pyrazine-2-carboxamide
CID 32916582
N-[[3-(dimethylcarbamoyl)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 46424700
3-methyl-5-(methylamino)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,2-thiazole-4-carboxamide
CID 32918468
2-amino-N-[2-(3-fluorophenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55114963
2-amino-4-methyl-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 62792729
5-[[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099689
2-(2-aminoethyl)-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120621953
2-amino-4-methyl-N-[2-(methylamino)-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 62794600

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide (CID 91766936) is 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is CNC(=O)c1cccc(CNC(=O)c2sc(N)nc2C)c1.
What is the InChIKey of 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KPINYHPCLPCIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-8-11(21-14(15)18-8)13(20)17-7-9-4-3-5-10(6-9)12(19)16-2/h3-6H,7H2,1-2H3,(H2,15,18)(H,16,19)(H,17,20).
What are the key properties of 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide?
2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91766936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).