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

C17H14N2OS — CID 1485900

IUPAC[2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone
SMILESCNc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H14N2OS/c1-18-17-19-11-15(21-17)16(20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19)
InChIKeyDHNMTBLCSHLUJP-UHFFFAOYSA-N
MW294.38 g/mol
LogP4.08
Rot. Bonds4

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

[2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone (PubChem CID 1485900) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone
PubChem CID1485900
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC Name[2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone
SMILESCNc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1
InChIInChI=1S/C17H14N2OS/c1-18-17-19-11-15(21-17)16(20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19)
InChIKeyDHNMTBLCSHLUJP-UHFFFAOYSA-N
XLogP4.08
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone (CID 1485900) is [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone is CNc1ncc(C(=O)c2ccc(-c3ccccc3)cc2)s1.
What is the InChIKey of [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone?
The InChIKey is DHNMTBLCSHLUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-18-17-19-11-15(21-17)16(20)14-9-7-13(8-10-14)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,19).
What are the key properties of [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone?
[2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone has a molecular weight of 294.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-1,3-thiazol-5-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 1485900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).