4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

C20H28N2OS — CID 108745483

IUPAC4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccc(CC)cc3s2)CC1
InChIInChI=1S/C20H28N2OS/c1-3-5-6-15-7-10-16(11-8-15)19(23)22-20-21-17-12-9-14(4-2)13-18(17)24-20/h9,12-13,15-16H,3-8,10-11H2,1-2H3,(H,21,22,23)
InChIKeyIDNCAFJIPQDLSE-UHFFFAOYSA-N
MW344.52 g/mol
LogP5.79
Rot. Bonds6

About 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide

4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 108745483) has the molecular formula C20H28N2OS and a molecular weight of 344.52 g/mol. Its IUPAC name is 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID108745483
Molecular FormulaC20H28N2OS
Molecular Weight344.52 g/mol
Exact Mass344.19
IUPAC Name4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3ccc(CC)cc3s2)CC1
InChIInChI=1S/C20H28N2OS/c1-3-5-6-15-7-10-16(11-8-15)19(23)22-20-21-17-12-9-14(4-2)13-18(17)24-20/h9,12-13,15-16H,3-8,10-11H2,1-2H3,(H,21,22,23)
InChIKeyIDNCAFJIPQDLSE-UHFFFAOYSA-N
XLogP5.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.52
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 3446299
(3S)-N-(6-ethyl-1,3-benzothiazol-2-yl)-6-oxopiperidine-3-carboxamide
CID 94174817
N-(6-butyl-1,3-benzothiazol-2-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 24603334
N-(4-bromo-1,3-benzothiazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 43989493
4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 43989038
N-(6-ethyl-1,3-benzothiazol-2-yl)butanamide
CID 2410170
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
3-chloro-N-(6-ethyl-1,3-benzothiazol-2-yl)-2,2-dimethylpropanamide
CID 108767769
N-(6-butyl-1,3-benzothiazol-2-yl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 55630197
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
1-(5-carbamoyl-1-methylpyrrol-3-yl)sulfonyl-N-(6-ethyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 24562992

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (CID 108745483) is 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc3ccc(CC)cc3s2)CC1.
What is the InChIKey of 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is IDNCAFJIPQDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2OS/c1-3-5-6-15-7-10-16(11-8-15)19(23)22-20-21-17-12-9-14(4-2)13-18(17)24-20/h9,12-13,15-16H,3-8,10-11H2,1-2H3,(H,21,22,23).
What are the key properties of 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 344.52 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 108745483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).