4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

C15H13ClN4S — CID 46942640

IUPAC4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2ccccn2)n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4S/c16-11-6-2-1-5-10(11)14(17)12-9-21-15(19-12)20-13-7-3-4-8-18-13/h1-9,14H,17H2,(H,18,19,20)
InChIKeyKBSCDZWOAJPMAG-UHFFFAOYSA-N
MW316.82 g/mol
LogP3.98
Rot. Bonds4

About 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine

4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 46942640) has the molecular formula C15H13ClN4S and a molecular weight of 316.82 g/mol. Its IUPAC name is 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID46942640
Molecular FormulaC15H13ClN4S
Molecular Weight316.82 g/mol
Exact Mass316.05
IUPAC Name4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine
SMILESNC(c1csc(Nc2ccccn2)n1)c1ccccc1Cl
InChIInChI=1S/C15H13ClN4S/c16-11-6-2-1-5-10(11)14(17)12-9-21-15(19-12)20-13-7-3-4-8-18-13/h1-9,14H,17H2,(H,18,19,20)
InChIKeyKBSCDZWOAJPMAG-UHFFFAOYSA-N
XLogP3.98
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.82
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-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-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine (CID 46942640) is 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is NC(c1csc(Nc2ccccn2)n1)c1ccccc1Cl.
What is the InChIKey of 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is KBSCDZWOAJPMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4S/c16-11-6-2-1-5-10(11)14(17)12-9-21-15(19-12)20-13-7-3-4-8-18-13/h1-9,14H,17H2,(H,18,19,20).
What are the key properties of 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine?
4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 316.82 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(2-chlorophenyl)methyl]-N-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46942640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).