N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide

C15H18N2OS — CID 2093191

IUPACN-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2OS/c18-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)19-10-17-13/h6-8,10-11H,1-5,9H2,(H,16,18)
InChIKeyRBUYLNMCPALOSL-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.61
Rot. Bonds3

About N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide

N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 2093191) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID2093191
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
SMILESO=C(NCC1CCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2OS/c18-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)19-10-17-13/h6-8,10-11H,1-5,9H2,(H,16,18)
InChIKeyRBUYLNMCPALOSL-UHFFFAOYSA-N
XLogP3.61
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxycyclohexyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 106122209
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
N-(2-piperidin-3-ylethyl)-1,3-benzothiazole-6-carboxamide
CID 119558095
N-[[1-(2-fluorobenzoyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 71806878
N-[[1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 131940985
N-[(1-aminocycloheptyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 154577575
N-(2-amino-2-methylpropyl)-1,3-benzothiazole-6-carboxamide
CID 23111144
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-[[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-6-carboxamide
CID 126917690
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
N-(2-methylprop-2-enyl)-1,3-benzothiazole-6-carboxamide
CID 114618628
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide (CID 2093191) is N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide is O=C(NCC1CCCCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is RBUYLNMCPALOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(16-9-11-4-2-1-3-5-11)12-6-7-13-14(8-12)19-10-17-13/h6-8,10-11H,1-5,9H2,(H,16,18).
What are the key properties of N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide?
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2093191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).