N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide

C20H20N2OS — CID 142713314

IUPACN-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2C2CCCC2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-10-12-15(13-11-14)19(23)21-20-22(16-6-2-3-7-16)17-8-4-5-9-18(17)24-20/h4-5,8-13,16H,2-3,6-7H2,1H3/b21-20-
InChIKeyVCGOAGYSKXNQLK-MRCUWXFGSA-N
MW336.46 g/mol
LogP4.87
Rot. Bonds2

About N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide

N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide (PubChem CID 142713314) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide.

Molecular Properties

Compound NameN-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
PubChem CID142713314
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide
SMILESCc1ccc(C(=O)/N=c2\sc3ccccc3n2C2CCCC2)cc1
InChIInChI=1S/C20H20N2OS/c1-14-10-12-15(13-11-14)19(23)21-20-22(16-6-2-3-7-16)17-8-4-5-9-18(17)24-20/h4-5,8-13,16H,2-3,6-7H2,1H3/b21-20-
InChIKeyVCGOAGYSKXNQLK-MRCUWXFGSA-N
XLogP4.87
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(3-methyl-1,3-benzothiazol-2-ylidene)benzamide
CID 2330376
[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]methyl acetate
CID 142713499
6-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]hexanoic acid
CID 142713325
ethyl 2-fluoro-2-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 142713397
ethyl 4-[2-(4-methylbenzoyl)imino-1,3-benzothiazol-3-yl]butanoate
CID 142713472
4-methyl-N-[3-(2H-tetrazol-5-ylmethyl)-1,3-benzothiazol-2-ylidene]benzamide
CID 142713341
N-[3-(1-aminooxybutan-2-yl)-1,3-benzothiazol-2-ylidene]-4-methylbenzamide
CID 142713495
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 41073013
methyl 4-[(3-ethyl-1,3-benzothiazol-2-ylidene)carbamoyl]benzoate
CID 4638674
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)-4-phenylbenzamide
CID 4984113
N-(3-methyl-1,3-benzothiazol-2-ylidene)-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 4291910
4-methyl-N-[3-[1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-1,3-benzothiazol-2-ylidene]benzamide
CID 142713306

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The IUPAC name of N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide (CID 142713314) is N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide.
What is the SMILES notation for N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The canonical SMILES for N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide is Cc1ccc(C(=O)/N=c2\sc3ccccc3n2C2CCCC2)cc1.
What is the InChIKey of N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
The InChIKey is VCGOAGYSKXNQLK-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14-10-12-15(13-11-14)19(23)21-20-22(16-6-2-3-7-16)17-8-4-5-9-18(17)24-20/h4-5,8-13,16H,2-3,6-7H2,1H3/b21-20-.
What are the key properties of N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide?
N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentyl-1,3-benzothiazol-2-ylidene)-4-methylbenzamide is sourced from PubChem (CID 142713314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).