N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide

C19H18N2O2S — CID 3058837

IUPACN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide
SMILESCc1ccccc1C(=O)N(C(=O)c1ccccc1C)C1=NCCS1
InChIInChI=1S/C19H18N2O2S/c1-13-7-3-5-9-15(13)17(22)21(19-20-11-12-24-19)18(23)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyMYDJXIDACJVMHP-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.69
Rot. Bonds2

About N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide

N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide (PubChem CID 3058837) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide
PubChem CID3058837
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide
SMILESCc1ccccc1C(=O)N(C(=O)c1ccccc1C)C1=NCCS1
InChIInChI=1S/C19H18N2O2S/c1-13-7-3-5-9-15(13)17(22)21(19-20-11-12-24-19)18(23)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3
InChIKeyMYDJXIDACJVMHP-UHFFFAOYSA-N
XLogP3.69
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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
3-benzoyl-2-((2-(diethylamino)ethyl)thio)-6-hydroxy-5-propylpyrimidin-4(3H)-one hydrochloride
CID 135438918
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-isopropylbenzamide
CID 802139
N-(3-methyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 12514894
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-(3,5-dimethyl-4-phenyl-1,3-thiazol-2-ylidene)benzamide
CID 73669853
N-[4-(2,4-dimethylphenyl)-3-propyl-1,3-thiazol-2-ylidene]benzamide
CID 73671654
N-[3-butyl-4-(2,4-dimethylphenyl)-1,3-thiazol-2-ylidene]benzamide
CID 73671655

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide?
The IUPAC name of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide (CID 3058837) is N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide.
What is the SMILES notation for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide?
The canonical SMILES for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide is Cc1ccccc1C(=O)N(C(=O)c1ccccc1C)C1=NCCS1.
What is the InChIKey of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide?
The InChIKey is MYDJXIDACJVMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-7-3-5-9-15(13)17(22)21(19-20-11-12-24-19)18(23)16-10-6-4-8-14(16)2/h3-10H,11-12H2,1-2H3.
What are the key properties of N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide?
N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide has a molecular weight of 338.43 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1,3-thiazol-2-yl)-2-methyl-N-(2-methylbenzoyl)benzamide is sourced from PubChem (CID 3058837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).