2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone

C19H20N2OS — CID 2308998

IUPAC2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(Cc2ccccc2)C2=NCCS2)cc1
InChIInChI=1S/C19H20N2OS/c1-15-7-9-17(10-8-15)18(22)14-21(19-20-11-12-23-19)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyGRAZTOJQZSYCJH-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.78
Rot. Bonds5

About 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone

2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone (PubChem CID 2308998) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
PubChem CID2308998
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)CN(Cc2ccccc2)C2=NCCS2)cc1
InChIInChI=1S/C19H20N2OS/c1-15-7-9-17(10-8-15)18(22)14-21(19-20-11-12-23-19)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3
InChIKeyGRAZTOJQZSYCJH-UHFFFAOYSA-N
XLogP3.78
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(4-phenyl-3-propyl-1,3-thiazol-2-ylidene)benzamide
CID 102273912
N-[4-(2,4-dimethylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]benzamide
CID 118389702
(E)-2-(2-(benzylimino)thiazolidin-3-yl)-1-(4-chlorophenyl)ethanone hydrobromide
CID 12005515

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone (CID 2308998) is 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)CN(Cc2ccccc2)C2=NCCS2)cc1.
What is the InChIKey of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone?
The InChIKey is GRAZTOJQZSYCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15-7-9-17(10-8-15)18(22)14-21(19-20-11-12-23-19)13-16-5-3-2-4-6-16/h2-10H,11-14H2,1H3.
What are the key properties of 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone?
2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone has a molecular weight of 324.45 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(4,5-dihydro-1,3-thiazol-2-yl)amino]-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 2308998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).