3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

C19H16ClN3O2S — CID 46137185

IUPAC3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-21-17(24)14-7-5-13(6-8-14)12-23-9-10-26-19(23)22-18(25)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3,(H,21,24)/b22-19-
InChIKeyRVMYYXSIBFSYAA-QOCHGBHMSA-N
MW385.88 g/mol
LogP3.35
Rot. Bonds4

About 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide

3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (PubChem CID 46137185) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
PubChem CID46137185
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
SMILESCNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H16ClN3O2S/c1-21-17(24)14-7-5-13(6-8-14)12-23-9-10-26-19(23)22-18(25)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3,(H,21,24)/b22-19-
InChIKeyRVMYYXSIBFSYAA-QOCHGBHMSA-N
XLogP3.35
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-[2-(ethylamino)-2-oxoethyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067241
4-methyl-N-[3-[[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 93306639
N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-3-[[(R)-methylsulfinyl]methyl]benzamide
CID 38162185
3-[[2-(3-chlorobenzoyl)imino-1,3-benzothiazol-3-yl]methyl]-N-methylbenzamide
CID 83283830
4-fluoro-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 7930627
6-chloro-N-[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazol-2-ylidene]pyridine-3-carboxamide
CID 24905713
3-methyl-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]-4-(tetrazol-1-yl)benzamide
CID 51114115
N-(3-benzyl-1,3-thiazol-2-ylidene)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 18285459
N-[4-[(3-benzyl-1,3-thiazol-2-ylidene)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18292171
N-[3-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-ylidene]-6-methylpyridine-3-carboxamide
CID 18225540
4-(2,5-dioxopyrrolidin-1-yl)-N-[3-[(4-methylphenyl)methyl]-1,3-thiazol-2-ylidene]benzamide
CID 16546204
3,4-dimethoxy-N-[3-[[3-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide
CID 51067339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The IUPAC name of 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide (CID 46137185) is 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide.
What is the SMILES notation for 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The canonical SMILES for 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is CNC(=O)c1ccc(Cn2ccs/c2=N\C(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
The InChIKey is RVMYYXSIBFSYAA-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-21-17(24)14-7-5-13(6-8-14)12-23-9-10-26-19(23)22-18(25)15-3-2-4-16(20)11-15/h2-11H,12H2,1H3,(H,21,24)/b22-19-.
What are the key properties of 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide?
3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide has a molecular weight of 385.88 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-[[4-(methylcarbamoyl)phenyl]methyl]-1,3-thiazol-2-ylidene]benzamide is sourced from PubChem (CID 46137185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).