N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

C18H24N2OS — CID 53269216

IUPACN-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESCCC(C)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C18H24N2OS/c1-3-12(2)14-9-10-15-16(11-14)22-18(19-15)20-17(21)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,21)
InChIKeyMFVUEHFDLXHSHF-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.33
Rot. Bonds4

About N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (PubChem CID 53269216) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
PubChem CID53269216
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC NameN-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
SMILESCCC(C)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1
InChIInChI=1S/C18H24N2OS/c1-3-12(2)14-9-10-15-16(11-14)22-18(19-15)20-17(21)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,21)
InChIKeyMFVUEHFDLXHSHF-UHFFFAOYSA-N
XLogP5.33
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[6-[(2S)-butan-2-yl]-1,3-benzothiazol-2-yl]-2-chloropropanamide
CID 28662068
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
6-butan-2-yl-N-methyl-1,3-benzothiazol-2-amine
CID 89039662
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-3-fluorobenzamide
CID 53269170
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 53269183
N-(1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 835551
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-2-(4-ethylphenoxy)acetamide
CID 53269191
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)-4-methyl-3,5-dinitrobenzamide
CID 53269109
N-(6-fluoro-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 4228851
N-(6-phenoxy-1,3-benzothiazol-2-yl)cyclopentanecarboxamide
CID 7948425
N-[6-(morpholin-4-ylmethyl)-1,3-benzothiazol-2-yl]cyclohexanecarboxamide
CID 108763394

Frequently Asked Questions

What is the IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide (CID 53269216) is N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is CCC(C)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1.
What is the InChIKey of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is MFVUEHFDLXHSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-3-12(2)14-9-10-15-16(11-14)22-18(19-15)20-17(21)13-7-5-4-6-8-13/h9-13H,3-8H2,1-2H3,(H,19,20,21).
What are the key properties of N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide?
N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 316.47 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-butan-2-yl-1,3-benzothiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53269216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).