(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone

C11H9ClN2OS — CID 1485897

IUPAC(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyCIWPDPHKRCENFN-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.07
Rot. Bonds3

About (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone

(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (PubChem CID 1485897) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
PubChem CID1485897
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone
SMILESCNc1ncc(C(=O)c2ccc(Cl)cc2)s1
InChIInChI=1S/C11H9ClN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14)
InChIKeyCIWPDPHKRCENFN-UHFFFAOYSA-N
XLogP3.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone (CID 1485897) is (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is CNc1ncc(C(=O)c2ccc(Cl)cc2)s1.
What is the InChIKey of (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
The InChIKey is CIWPDPHKRCENFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-13-11-14-6-9(16-11)10(15)7-2-4-8(12)5-3-7/h2-6H,1H3,(H,13,14).
What are the key properties of (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone?
(4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone has a molecular weight of 252.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-(methylamino)-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 1485897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).