N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C14H10ClN3S — CID 704499

IUPACN-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H10ClN3S/c15-11-1-3-12(4-2-11)17-14-18-13(9-19-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKeyJXWDMTUIBLTAEB-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.60
Rot. Bonds3

About N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 704499) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID704499
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC NameN-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C14H10ClN3S/c15-11-1-3-12(4-2-11)17-14-18-13(9-19-14)10-5-7-16-8-6-10/h1-9H,(H,17,18)
InChIKeyJXWDMTUIBLTAEB-UHFFFAOYSA-N
XLogP4.60
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 704499) is N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is Clc1ccc(Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is JXWDMTUIBLTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-11-1-3-12(4-2-11)17-14-18-13(9-19-14)10-5-7-16-8-6-10/h1-9H,(H,17,18).
What are the key properties of N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 287.78 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).