2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid

C10H9ClN2O2S2 — CID 55112363

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-13(5-6-2-3-8(11)16-6)10-12-4-7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyPHBZCJSBVNRJPC-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.19
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid (PubChem CID 55112363) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
PubChem CID55112363
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
SMILESCN(Cc1ccc(Cl)s1)c1ncc(C(=O)O)s1
InChIInChI=1S/C10H9ClN2O2S2/c1-13(5-6-2-3-8(11)16-6)10-12-4-7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15)
InChIKeyPHBZCJSBVNRJPC-UHFFFAOYSA-N
XLogP3.19
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-chlorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 55112599
2-[methyl(pyridin-2-ylmethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 55112267
2-[methyl(2-oxopropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 118959240
5-bromo-2-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-3-carboxylic acid
CID 62000773
1-[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4-methyl-1,3-thiazol-5-yl]ethanone
CID 62750629
3-chloro-6-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridine-2-carboxylic acid
CID 61439995
2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 62752778
2-[methyl(pentyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62752432
1-[2-[benzyl(methyl)amino]-1,3-thiazol-5-yl]ethanone
CID 57302328
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-methylbenzoic acid
CID 62136632
3-[(5-chlorothiophen-2-yl)methyl-methylamino]benzoic acid
CID 102822767
2-[methyl(2-pyridin-4-ylethyl)amino]-1,3-thiazole-5-carboxylic acid
CID 62753825

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid (CID 55112363) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid is CN(Cc1ccc(Cl)s1)c1ncc(C(=O)O)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is PHBZCJSBVNRJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c1-13(5-6-2-3-8(11)16-6)10-12-4-7(17-10)9(14)15/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 288.78 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 55112363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).