N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine

C16H19N5S — CID 71851047

IUPACN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
SMILESCc1nc(C)c(CNc2ccn(CCc3ccncc3)n2)s1
InChIInChI=1S/C16H19N5S/c1-12-15(22-13(2)19-12)11-18-16-6-10-21(20-16)9-5-14-3-7-17-8-4-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,18,20)
InChIKeyWEIDVSZYFBFWPG-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.21
Rot. Bonds6

About N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine

N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine (PubChem CID 71851047) has the molecular formula C16H19N5S and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
PubChem CID71851047
Molecular FormulaC16H19N5S
Molecular Weight313.43 g/mol
Exact Mass313.14
IUPAC NameN-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine
SMILESCc1nc(C)c(CNc2ccn(CCc3ccncc3)n2)s1
InChIInChI=1S/C16H19N5S/c1-12-15(22-13(2)19-12)11-18-16-6-10-21(20-16)9-5-14-3-7-17-8-4-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,18,20)
InChIKeyWEIDVSZYFBFWPG-UHFFFAOYSA-N
XLogP3.21
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-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 N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The IUPAC name of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine (CID 71851047) is N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The canonical SMILES for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine is Cc1nc(C)c(CNc2ccn(CCc3ccncc3)n2)s1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
The InChIKey is WEIDVSZYFBFWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5S/c1-12-15(22-13(2)19-12)11-18-16-6-10-21(20-16)9-5-14-3-7-17-8-4-14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine?
N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine has a molecular weight of 313.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(2-pyridin-4-ylethyl)pyrazol-3-amine is sourced from PubChem (CID 71851047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).