3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid

C14H15N3O3S — CID 79397907

IUPAC3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1cccc(NC(=O)N(C)c2snc(C)c2C(=O)O)c1
InChIInChI=1S/C14H15N3O3S/c1-8-5-4-6-10(7-8)15-14(20)17(3)12-11(13(18)19)9(2)16-21-12/h4-7H,1-3H3,(H,15,20)(H,18,19)
InChIKeyCPIBQRGYFWHWBY-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid

3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid (PubChem CID 79397907) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid
PubChem CID79397907
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid
SMILESCc1cccc(NC(=O)N(C)c2snc(C)c2C(=O)O)c1
InChIInChI=1S/C14H15N3O3S/c1-8-5-4-6-10(7-8)15-14(20)17(3)12-11(13(18)19)9(2)16-21-12/h4-7H,1-3H3,(H,15,20)(H,18,19)
InChIKeyCPIBQRGYFWHWBY-UHFFFAOYSA-N
XLogP3.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[methyl-[2-(3-methylphenyl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 79397623
5-[2,2-dimethylpropanoyl(methyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79401922
5-[(2,5-difluorobenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397486
5-[(4-fluoro-3-methylbenzoyl)-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397367
3-(3-methylphenyl)-1-phenyl-1-sulfanylurea
CID 57164193
N-(3-methylphenyl)acetamide
CID 10843
1-(2-aminoethyl)-1-methyl-3-(3-methylphenyl)urea
CID 61350070
5-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl-methylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402471
3-methyl-5-[methyl-(1-methylcyclohexanecarbonyl)amino]-1,2-thiazole-4-carboxylic acid
CID 106826362
2-[(3-methylphenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270346
1-butyl-1-methyl-3-(3-methylphenyl)urea
CID 5220454
1-(3-bromopropyl)-1-methyl-3-(3-methylphenyl)urea
CID 106441564

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid (CID 79397907) is 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid is Cc1cccc(NC(=O)N(C)c2snc(C)c2C(=O)O)c1.
What is the InChIKey of 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid?
The InChIKey is CPIBQRGYFWHWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-5-4-6-10(7-8)15-14(20)17(3)12-11(13(18)19)9(2)16-21-12/h4-7H,1-3H3,(H,15,20)(H,18,19).
What are the key properties of 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid?
3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[methyl-[(3-methylphenyl)carbamoyl]amino]-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79397907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).