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

C19H18N2OS — CID 59865780

IUPACN-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2ccccc2n1CC1CC1
InChIInChI=1S/C19H18N2OS/c1-13-6-2-3-7-15(13)18(22)20-19-21(12-14-10-11-14)16-8-4-5-9-17(16)23-19/h2-9,14H,10-12H2,1H3/b20-19-
InChIKeyFOBYGHCPSQDPKT-VXPUYCOJSA-N
MW322.43 g/mol
LogP4.16
Rot. Bonds3

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

N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (PubChem CID 59865780) has the molecular formula C19H18N2OS and a molecular weight of 322.43 g/mol. Its IUPAC name is N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
PubChem CID59865780
Molecular FormulaC19H18N2OS
Molecular Weight322.43 g/mol
Exact Mass322.11
IUPAC NameN-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
SMILESCc1ccccc1C(=O)/N=c1\sc2ccccc2n1CC1CC1
InChIInChI=1S/C19H18N2OS/c1-13-6-2-3-7-15(13)18(22)20-19-21(12-14-10-11-14)16-8-4-5-9-17(16)23-19/h2-9,14H,10-12H2,1H3/b20-19-
InChIKeyFOBYGHCPSQDPKT-VXPUYCOJSA-N
XLogP4.16
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethyl)-4-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 59865736
methyl 3-[2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8611851
methyl 2-[[3-(2-ethoxy-2-oxoethyl)-1,3-benzothiazol-2-ylidene]carbamoyl]benzoate
CID 43940363
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 4099388
4-chloro-N-[3-(cyclopropylmethyl)-4,5-dimethyl-1,3-thiazol-2-ylidene]-2-methylbenzamide
CID 59865991
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 5108762
ethyl 2-[2-(2-ethylsulfanylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 42524355
methyl 2-[2-(2-ethoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate
CID 43939814
ethyl 3-[5-methoxy-2-(2-methylbenzoyl)imino-1,3-benzothiazol-3-yl]propanoate
CID 8613116
N-[4-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide
CID 41203162
2-methyl-N-(3,4,5-trimethyl-1,3-benzothiazol-2-ylidene)benzamide
CID 5001748
N-[3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]naphthalene-1-carboxamide
CID 4577895

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The IUPAC name of N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide (CID 59865780) is N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide.
What is the SMILES notation for N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The canonical SMILES for N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is Cc1ccccc1C(=O)/N=c1\sc2ccccc2n1CC1CC1.
What is the InChIKey of N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
The InChIKey is FOBYGHCPSQDPKT-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H18N2OS/c1-13-6-2-3-7-15(13)18(22)20-19-21(12-14-10-11-14)16-8-4-5-9-17(16)23-19/h2-9,14H,10-12H2,1H3/b20-19-.
What are the key properties of N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide?
N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide has a molecular weight of 322.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethyl)-1,3-benzothiazol-2-ylidene]-2-methylbenzamide is sourced from PubChem (CID 59865780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).