N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide

C20H20N2OS — CID 59865736

IUPACN-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2cccc(C)c2n1CC1CC1
InChIInChI=1S/C20H20N2OS/c1-13-6-3-4-8-16(13)19(23)21-20-22(12-15-10-11-15)18-14(2)7-5-9-17(18)24-20/h3-9,15H,10-12H2,1-2H3/b21-20-
InChIKeyUHNRBVSSYKJITI-MRCUWXFGSA-N
MW336.46 g/mol
LogP4.47
Rot. Bonds3

About N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide

N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (PubChem CID 59865736) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
PubChem CID59865736
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC NameN-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2cccc(C)c2n1CC1CC1
InChIInChI=1S/C20H20N2OS/c1-13-6-3-4-8-16(13)19(23)21-20-22(12-15-10-11-15)18-14(2)7-5-9-17(18)24-20/h3-9,15H,10-12H2,1-2H3/b21-20-
InChIKeyUHNRBVSSYKJITI-MRCUWXFGSA-N
XLogP4.47
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 59865780
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
N-[4-ethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 40888430
methyl 2-[4-ethoxy-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 7153743
N-[3-(2-ethoxyethyl)-4-methoxy-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203157
2,5-dimethyl-N-(4-methyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)benzamide
CID 40886274
ethyl 2-[2-(2,5-dimethylbenzoyl)imino-4-methyl-1,3-benzothiazol-3-yl]acetate
CID 41204487
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
N-(3,4-dimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5224044
2-chloro-N-(4-chloro-3-ethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 4187487
N-(4,6-dichloro-3-ethyl-1,3-benzothiazol-2-ylidene)-2-methylbenzamide
CID 40885342
methyl 3-[2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611851

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (CID 59865736) is N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is Cc1ccccc1C(=O)/N=c1\sc2cccc(C)c2n1CC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The InChIKey is UHNRBVSSYKJITI-MRCUWXFGSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-13-6-3-4-8-16(13)19(23)21-20-22(12-15-10-11-15)18-14(2)7-5-9-17(18)24-20/h3-9,15H,10-12H2,1-2H3/b21-20-.
What are the key properties of N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is sourced from PubChem (CID 59865736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).