4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride

C13H13ClN4S — CID 126456710

IUPAC4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride
SMILESCc1csc(-c2cnn(-c3ccccc3)c2N)n1.Cl
InChIInChI=1S/C13H12N4S.ClH/c1-9-8-18-13(16-9)11-7-15-17(12(11)14)10-5-3-2-4-6-10;/h2-8H,14H2,1H3;1H
InChIKeyHCAQDKSNAQDAPI-UHFFFAOYSA-N
MW292.80 g/mol
LogP3.31
Rot. Bonds2

About 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride

4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride (PubChem CID 126456710) has the molecular formula C13H13ClN4S and a molecular weight of 292.80 g/mol. Its IUPAC name is 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride.

Molecular Properties

Compound Name4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride
PubChem CID126456710
Molecular FormulaC13H13ClN4S
Molecular Weight292.80 g/mol
Exact Mass292.05
IUPAC Name4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride
SMILESCc1csc(-c2cnn(-c3ccccc3)c2N)n1.Cl
InChIInChI=1S/C13H12N4S.ClH/c1-9-8-18-13(16-9)11-7-15-17(12(11)14)10-5-3-2-4-6-10;/h2-8H,14H2,1H3;1H
InChIKeyHCAQDKSNAQDAPI-UHFFFAOYSA-N
XLogP3.31
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.80
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride?
The IUPAC name of 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride (CID 126456710) is 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride.
What is the SMILES notation for 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride?
The canonical SMILES for 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride is Cc1csc(-c2cnn(-c3ccccc3)c2N)n1.Cl.
What is the InChIKey of 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride?
The InChIKey is HCAQDKSNAQDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S.ClH/c1-9-8-18-13(16-9)11-7-15-17(12(11)14)10-5-3-2-4-6-10;/h2-8H,14H2,1H3;1H.
What are the key properties of 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride?
4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride has a molecular weight of 292.80 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-1,3-thiazol-2-yl)-1-phenylpyrazol-5-amine;hydrochloride is sourced from PubChem (CID 126456710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).