N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

C15H12ClN3S — CID 2213802

IUPACN-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H12ClN3S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11/h2-9H,1H3,(H,18,19)
InChIKeyCWBNSEJSGDXUGA-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.91
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine

N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (PubChem CID 2213802) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
PubChem CID2213802
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC NameN-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
SMILESCc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C15H12ClN3S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11/h2-9H,1H3,(H,18,19)
InChIKeyCWBNSEJSGDXUGA-UHFFFAOYSA-N
XLogP4.91
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine (CID 2213802) is N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is Cc1ccc(Cl)cc1Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
The InChIKey is CWBNSEJSGDXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-10-4-5-12(16)7-13(10)18-15-19-14(9-20-15)11-3-2-6-17-8-11/h2-9H,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine?
N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine has a molecular weight of 301.80 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 2213802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).