N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide

C17H14N2OS — CID 12514894

IUPACN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-19-15(13-8-4-2-5-9-13)12-21-17(19)18-16(20)14-10-6-3-7-11-14/h2-12H,1H3/b18-17-
InChIKeyAQJUSHUSGGALIB-ZCXUNETKSA-N
MW294.38 g/mol
LogP3.49
Rot. Bonds2

About N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide

N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide (PubChem CID 12514894) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
PubChem CID12514894
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
SMILESCn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1
InChIInChI=1S/C17H14N2OS/c1-19-15(13-8-4-2-5-9-13)12-21-17(19)18-16(20)14-10-6-3-7-11-14/h2-12H,1H3/b18-17-
InChIKeyAQJUSHUSGGALIB-ZCXUNETKSA-N
XLogP3.49
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4,5-Dihydro-1,3-thiazol-2-yl)-4-methylbenzamide
CID 776902
N-(4,5-Dihydro-thiazol-2-yl)-benzamide
CID 802148
(2-(benzylthio)-4,5-dihydro-1H-imidazol-1-yl)(2,6-difluorophenyl)methanone
CID 4612087
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
3-benzoyl-2-((2-(diethylamino)ethyl)thio)-6-hydroxy-5-propylpyrimidin-4(3H)-one hydrochloride
CID 135438918
N-(3,4-dimethyl-2-thiazolylidene)benzamide
CID 900891
N-(5-tert-butyl-3-(cyclopropylmethyl)-4-methylthiazol-2(3H)-ylidene)benzamide
CID 44443136
Tumor metastasis blocker 5k
CID 71528723
N-[4-(2,4-dimethylphenyl)-3-hexyl-1,3-thiazol-2-ylidene]benzamide
CID 73669178
N-[4-(2,4-dimethylphenyl)-3-dodecyl-1,3-thiazol-2-ylidene]benzamide
CID 73669179
N-(3-ethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669182
N-[4-(2-chlorophenyl)-3-methyl-1,3-thiazol-2-ylidene]benzamide
CID 73669676

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The IUPAC name of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide (CID 12514894) is N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide.
What is the SMILES notation for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The canonical SMILES for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide is Cn1c(-c2ccccc2)cs/c1=N\C(=O)c1ccccc1.
What is the InChIKey of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
The InChIKey is AQJUSHUSGGALIB-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H14N2OS/c1-19-15(13-8-4-2-5-9-13)12-21-17(19)18-16(20)14-10-6-3-7-11-14/h2-12H,1H3/b18-17-.
What are the key properties of N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide?
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide has a molecular weight of 294.38 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide is sourced from PubChem (CID 12514894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).