4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid

C9H12N2O3S2 — CID 104892993

IUPAC4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCSCCN(C)C(=O)c1csc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3S2/c1-11(3-4-15-2)8(12)6-5-16-7(10-6)9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyZSCADNPPKJOPIJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.28
Rot. Bonds5

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

4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 104892993) has the molecular formula C9H12N2O3S2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
PubChem CID104892993
Molecular FormulaC9H12N2O3S2
Molecular Weight260.34 g/mol
Exact Mass260.03
IUPAC Name4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
SMILESCSCCN(C)C(=O)c1csc(C(=O)O)n1
InChIInChI=1S/C9H12N2O3S2/c1-11(3-4-15-2)8(12)6-5-16-7(10-6)9(13)14/h5H,3-4H2,1-2H3,(H,13,14)
InChIKeyZSCADNPPKJOPIJ-UHFFFAOYSA-N
XLogP1.28
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2,2-difluoroethyl(methyl)carbamoyl]-1,3-thiazole-2-carboxylic acid
CID 104893092
CID 59369515
CID 59369515
4-(methylsulfanylmethyl)-1,3-thiazole-2-carboxylic acid
CID 61024778
4-[methyl(2-methylsulfanylethyl)carbamoyl]benzoic acid
CID 112555217
4-hydrazinyl-N-methyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 112664397
N-methyl-N-(2-methylsulfanylethyl)thiophene-2-carboxamide
CID 112697982
2,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)pyridine-4-carboxamide
CID 112698010
2-[bis(2-methoxyethyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696799
4-methoxycarbonyl-1,3-thiazole-2-carboxylic acid
CID 84770279
2-[benzyl(methyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696567
3-amino-N-methyl-N-(2-methylsulfanylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 112658989
N-methyl-4-(methylamino)-N-(2-methylsulfanylethyl)quinoline-2-carboxamide
CID 115987219

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid (CID 104892993) is 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid is CSCCN(C)C(=O)c1csc(C(=O)O)n1.
What is the InChIKey of 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZSCADNPPKJOPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3S2/c1-11(3-4-15-2)8(12)6-5-16-7(10-6)9(13)14/h5H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid?
4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-methylsulfanylethyl)carbamoyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 104892993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).