(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride

C15H11ClN2OS — CID 25259749

IUPAC(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccn1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C15H10N2OS.ClH/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11;/h1-10H;1H
InChIKeyKISMQULFSWOYOH-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.86
Rot. Bonds3

About (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride

(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride (PubChem CID 25259749) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride
PubChem CID25259749
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride
SMILESCl.O=C(c1ccccn1)c1csc(-c2ccccc2)n1
InChIInChI=1S/C15H10N2OS.ClH/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11;/h1-10H;1H
InChIKeyKISMQULFSWOYOH-UHFFFAOYSA-N
XLogP3.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride (CID 25259749) is (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride is Cl.O=C(c1ccccn1)c1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride?
The InChIKey is KISMQULFSWOYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2OS.ClH/c18-14(12-8-4-5-9-16-12)13-10-19-15(17-13)11-6-2-1-3-7-11;/h1-10H;1H.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride?
(2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride has a molecular weight of 302.79 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)-pyridin-2-ylmethanone;hydrochloride is sourced from PubChem (CID 25259749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).