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

C9H8ClN3O2S — CID 118408878

IUPAC4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1-c1c(Cl)cnn1C
InChIInChI=1S/C9H8ClN3O2S/c1-4-6(12-8(16-4)9(14)15)7-5(10)3-11-13(7)2/h3H,1-2H3,(H,14,15)
InChIKeyPWEIFKKMTFLOOH-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.20
Rot. Bonds2

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

4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid (PubChem CID 118408878) has the molecular formula C9H8ClN3O2S and a molecular weight of 257.70 g/mol. Its IUPAC name is 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid
PubChem CID118408878
Molecular FormulaC9H8ClN3O2S
Molecular Weight257.70 g/mol
Exact Mass257.00
IUPAC Name4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid
SMILESCc1sc(C(=O)O)nc1-c1c(Cl)cnn1C
InChIInChI=1S/C9H8ClN3O2S/c1-4-6(12-8(16-4)9(14)15)7-5(10)3-11-13(7)2/h3H,1-2H3,(H,14,15)
InChIKeyPWEIFKKMTFLOOH-UHFFFAOYSA-N
XLogP2.20
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid (CID 118408878) is 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid is Cc1sc(C(=O)O)nc1-c1c(Cl)cnn1C.
What is the InChIKey of 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid?
The InChIKey is PWEIFKKMTFLOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2S/c1-4-6(12-8(16-4)9(14)15)7-5(10)3-11-13(7)2/h3H,1-2H3,(H,14,15).
What are the key properties of 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid?
4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid has a molecular weight of 257.70 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1-methylpyrazol-5-yl)-5-methyl-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 118408878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).