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

C18H22F2N2OS — CID 43989038

IUPAC4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C18H22F2N2OS/c1-2-3-4-11-5-7-12(8-6-11)17(23)22-18-21-16-14(20)9-13(19)10-15(16)24-18/h9-12H,2-8H2,1H3,(H,21,22,23)
InChIKeyUPZSYVIBBIRXKO-UHFFFAOYSA-N
MW352.45 g/mol
LogP5.51
Rot. Bonds5

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

4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 43989038) has the molecular formula C18H22F2N2OS and a molecular weight of 352.45 g/mol. Its IUPAC name is 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID43989038
Molecular FormulaC18H22F2N2OS
Molecular Weight352.45 g/mol
Exact Mass352.14
IUPAC Name4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
SMILESCCCCC1CCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)CC1
InChIInChI=1S/C18H22F2N2OS/c1-2-3-4-11-5-7-12(8-6-11)17(23)22-18-21-16-14(20)9-13(19)10-15(16)24-18/h9-12H,2-8H2,1H3,(H,21,22,23)
InChIKeyUPZSYVIBBIRXKO-UHFFFAOYSA-N
XLogP5.51
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-1,3-benzothiazol-2-yl)-4-butylcyclohexane-1-carboxamide
CID 43989493
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-methylpiperidine-3-carboxamide
CID 162345703
4-butyl-N-(6-ethyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 108745483
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]azocane-3-carboxamide
CID 171529930
(3R)-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(dimethylamino)ethyl]piperidine-3-carboxamide
CID 168899979
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-[2-(3-fluoropyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 177079634
3-N-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 177079734
N-(4,6-difluoro-1,3-benzothiazol-2-yl)-2-[methyl-(1-methylpyrrolidin-3-yl)amino]pentanamide
CID 171529950
4-butyl-N-(6-pyrrolidin-1-ylsulfonyl-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide
CID 3446299
ethyl 2-[(4-butylcyclohexanecarbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 19206940
4-butyl-N-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 108726497
5-[(4,6-difluoro-1,3-benzothiazol-2-yl)carbamoyl]-1-[2-(dimethylamino)ethyl]piperidine-3-carboxylic acid
CID 177079711

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide (CID 43989038) is 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is CCCCC1CCC(C(=O)Nc2nc3c(F)cc(F)cc3s2)CC1.
What is the InChIKey of 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UPZSYVIBBIRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2OS/c1-2-3-4-11-5-7-12(8-6-11)17(23)22-18-21-16-14(20)9-13(19)10-15(16)24-18/h9-12H,2-8H2,1H3,(H,21,22,23).
What are the key properties of 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide?
4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 352.45 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-(4,6-difluoro-1,3-benzothiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 43989038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).