2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

C8H5ClN2O2S2 — CID 107124586

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ncc(Cl)s2)sc1C(=O)O
InChIInChI=1S/C8H5ClN2O2S2/c1-3-5(8(12)13)15-7(11-3)6-10-2-4(9)14-6/h2H,1H3,(H,12,13)
InChIKeyVVUGBYPFWXBTJC-UHFFFAOYSA-N
MW260.73 g/mol
LogP2.93
Rot. Bonds2

About 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid

2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (PubChem CID 107124586) has the molecular formula C8H5ClN2O2S2 and a molecular weight of 260.73 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
PubChem CID107124586
Molecular FormulaC8H5ClN2O2S2
Molecular Weight260.73 g/mol
Exact Mass259.95
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(-c2ncc(Cl)s2)sc1C(=O)O
InChIInChI=1S/C8H5ClN2O2S2/c1-3-5(8(12)13)15-7(11-3)6-10-2-4(9)14-6/h2H,1H3,(H,12,13)
InChIKeyVVUGBYPFWXBTJC-UHFFFAOYSA-N
XLogP2.93
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.73
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylate
CID 107124592
2-(5-chloro-1,3-thiazol-2-yl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 107124594
2-(3-chloro-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106817940
2-chloro-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 67684501
2-(3-amino-4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 82545832
2-(2-methoxy-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 68641689
2-(7-chlorothieno[3,2-b]pyridin-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 22250074
2-(2-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 4980399
2-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20989348
2-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 83969596
2-(4-methoxy-2,3-dimethylphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 95481168
2-[4-(dimethylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 19965147

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid (CID 107124586) is 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is Cc1nc(-c2ncc(Cl)s2)sc1C(=O)O.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
The InChIKey is VVUGBYPFWXBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O2S2/c1-3-5(8(12)13)15-7(11-3)6-10-2-4(9)14-6/h2H,1H3,(H,12,13).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid?
2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid has a molecular weight of 260.73 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 107124586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).