4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine

C18H14ClN5S — CID 22953885

IUPAC4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1
InChIInChI=1S/C18H14ClN5S/c19-13-3-1-12(2-4-13)17-16(11-5-7-21-8-6-11)15(23-24-17)9-14-10-25-18(20)22-14/h1-8,10H,9H2,(H2,20,22)(H,23,24)
InChIKeyOPTXEZTTZFHGEF-UHFFFAOYSA-N
MW367.87 g/mol
LogP4.42
Rot. Bonds4

About 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine

4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 22953885) has the molecular formula C18H14ClN5S and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine
PubChem CID22953885
Molecular FormulaC18H14ClN5S
Molecular Weight367.87 g/mol
Exact Mass367.07
IUPAC Name4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1
InChIInChI=1S/C18H14ClN5S/c19-13-3-1-12(2-4-13)17-16(11-5-7-21-8-6-11)15(23-24-17)9-14-10-25-18(20)22-14/h1-8,10H,9H2,(H2,20,22)(H,23,24)
InChIKeyOPTXEZTTZFHGEF-UHFFFAOYSA-N
XLogP4.42
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine (CID 22953885) is 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)cs1.
What is the InChIKey of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is OPTXEZTTZFHGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5S/c19-13-3-1-12(2-4-13)17-16(11-5-7-21-8-6-11)15(23-24-17)9-14-10-25-18(20)22-14/h1-8,10H,9H2,(H2,20,22)(H,23,24).
What are the key properties of 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine?
4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 367.87 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 22953885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).