5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid

C14H10Cl2N4O2S — CID 134816926

IUPAC5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H10Cl2N4O2S/c1-20-12(5-10(19-20)13(21)22)11-6-23-14(18-11)17-9-3-7(15)2-8(16)4-9/h2-6H,1H3,(H,17,18)(H,21,22)
InChIKeyPRJIZIWTYSUHQF-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.29
Rot. Bonds4

About 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid

5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid (PubChem CID 134816926) has the molecular formula C14H10Cl2N4O2S and a molecular weight of 369.23 g/mol. Its IUPAC name is 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid
PubChem CID134816926
Molecular FormulaC14H10Cl2N4O2S
Molecular Weight369.23 g/mol
Exact Mass367.99
IUPAC Name5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid
SMILESCn1nc(C(=O)O)cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H10Cl2N4O2S/c1-20-12(5-10(19-20)13(21)22)11-6-23-14(18-11)17-9-3-7(15)2-8(16)4-9/h2-6H,1H3,(H,17,18)(H,21,22)
InChIKeyPRJIZIWTYSUHQF-UHFFFAOYSA-N
XLogP4.29
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-[2-(3,5-dichloroanilino)thiazol-4-yl]-1-methyl-pyrazole-3-carboxylate
CID 134816881
1-Methyl-5-[2-(4-methylanilino)thiazol-4-yl]pyrazole-3-carboxylic acid
CID 134816908
5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 137636284
Butyl 5-[2-(3,5-dichloroanilino)thiazol-4-yl]-1-methyl-pyrazole-3-carboxylate
CID 134816796

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid?
The IUPAC name of 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid (CID 134816926) is 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid is Cn1nc(C(=O)O)cc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid?
The InChIKey is PRJIZIWTYSUHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O2S/c1-20-12(5-10(19-20)13(21)22)11-6-23-14(18-11)17-9-3-7(15)2-8(16)4-9/h2-6H,1H3,(H,17,18)(H,21,22).
What are the key properties of 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid?
5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid has a molecular weight of 369.23 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dichloroanilino)-1,3-thiazol-4-yl]-1-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 134816926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).