N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine

C14H10ClN3S — CID 5329395

IUPACN-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2ncc(-c3ccccc3)s2)nc1
InChIInChI=1S/C14H10ClN3S/c15-11-6-7-13(16-8-11)18-14-17-9-12(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyPAYGNEBZIPMOEF-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.60
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine

N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine (PubChem CID 5329395) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
PubChem CID5329395
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC NameN-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine
SMILESClc1ccc(Nc2ncc(-c3ccccc3)s2)nc1
InChIInChI=1S/C14H10ClN3S/c15-11-6-7-13(16-8-11)18-14-17-9-12(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18)
InChIKeyPAYGNEBZIPMOEF-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-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine (CID 5329395) is N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine is Clc1ccc(Nc2ncc(-c3ccccc3)s2)nc1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is PAYGNEBZIPMOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c15-11-6-7-13(16-8-11)18-14-17-9-12(19-14)10-4-2-1-3-5-10/h1-9H,(H,16,17,18).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine?
N-(5-chloro-2-pyridinyl)-5-phenyl-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-(5-chloro-2-pyridinyl)-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 5329395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).