2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid

C9H7ClN4O2S — CID 66553225

IUPAC2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cl)cc(Nc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C9H7ClN4O2S/c1-4-12-6(10)2-7(13-4)14-9-11-3-5(17-9)8(15)16/h2-3H,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyLEPDNDFKYFKQNP-UHFFFAOYSA-N
MW270.70 g/mol
LogP2.34
Rot. Bonds3

About 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid

2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 66553225) has the molecular formula C9H7ClN4O2S and a molecular weight of 270.70 g/mol. Its IUPAC name is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID66553225
Molecular FormulaC9H7ClN4O2S
Molecular Weight270.70 g/mol
Exact Mass270.00
IUPAC Name2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(Cl)cc(Nc2ncc(C(=O)O)s2)n1
InChIInChI=1S/C9H7ClN4O2S/c1-4-12-6(10)2-7(13-4)14-9-11-3-5(17-9)8(15)16/h2-3H,1H3,(H,15,16)(H,11,12,13,14)
InChIKeyLEPDNDFKYFKQNP-UHFFFAOYSA-N
XLogP2.34
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.70
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid (CID 66553225) is 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(Cl)cc(Nc2ncc(C(=O)O)s2)n1.
What is the InChIKey of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LEPDNDFKYFKQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN4O2S/c1-4-12-6(10)2-7(13-4)14-9-11-3-5(17-9)8(15)16/h2-3H,1H3,(H,15,16)(H,11,12,13,14).
What are the key properties of 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid?
2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 270.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 66553225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).