N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

C19H26N2OS — CID 7247592

IUPACN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESCCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H26N2OS/c1-4-10-21-16-12-13(2)11-14(3)17(16)23-19(21)20-18(22)15-8-6-5-7-9-15/h11-12,15H,4-10H2,1-3H3/b20-19-
InChIKeyOHBMGZRNJGYOGJ-VXPUYCOJSA-N
MW330.50 g/mol
LogP4.74
Rot. Bonds3

About N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide

N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (PubChem CID 7247592) has the molecular formula C19H26N2OS and a molecular weight of 330.50 g/mol. Its IUPAC name is N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
PubChem CID7247592
Molecular FormulaC19H26N2OS
Molecular Weight330.50 g/mol
Exact Mass330.18
IUPAC NameN-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
SMILESCCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21
InChIInChI=1S/C19H26N2OS/c1-4-10-21-16-12-13(2)11-14(3)17(16)23-19(21)20-18(22)15-8-6-5-7-9-15/h11-12,15H,4-10H2,1-3H3/b20-19-
InChIKeyOHBMGZRNJGYOGJ-VXPUYCOJSA-N
XLogP4.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-methoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]cyclohexanecarboxamide
CID 43938678
N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 42523222
N-(4,6-dimethyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 43946166
4-cyano-N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)benzamide
CID 41136763
N-(3,6-dimethyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide
CID 4671206
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)-2-fluorobenzamide
CID 41136849
1-(benzenesulfonyl)-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]piperidine-3-carboxamide
CID 16862427
ethyl 2-[5,7-dimethyl-2-[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate
CID 42523346
N-[3-(2-ethoxyethyl)-5,7-dimethyl-1,3-benzothiazol-2-ylidene]-1-(4-methoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 42523396
1-(4-chlorophenyl)sulfonyl-N-[5,7-dimethyl-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]piperidine-3-carboxamide
CID 16862428
N-[3-(2-methoxyethyl)-6-methyl-1,3-benzothiazol-2-ylidene]cyclopentanecarboxamide
CID 43937645
2-(2,4-dimethylphenyl)-N-(3-ethyl-5,7-dimethyl-1,3-benzothiazol-2-ylidene)acetamide
CID 42524680

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The IUPAC name of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide (CID 7247592) is N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide.
What is the SMILES notation for N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The canonical SMILES for N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is CCCn1/c(=N/C(=O)C2CCCCC2)sc2c(C)cc(C)cc21.
What is the InChIKey of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
The InChIKey is OHBMGZRNJGYOGJ-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H26N2OS/c1-4-10-21-16-12-13(2)11-14(3)17(16)23-19(21)20-18(22)15-8-6-5-7-9-15/h11-12,15H,4-10H2,1-3H3/b20-19-.
What are the key properties of N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide?
N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide has a molecular weight of 330.50 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-3-propyl-1,3-benzothiazol-2-ylidene)cyclohexanecarboxamide is sourced from PubChem (CID 7247592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).