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

C15H18N2OS2 — CID 672510

IUPACN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C15H18N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyGWMZRYSJTLLFNK-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.54
Rot. Bonds3

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

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (PubChem CID 672510) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
PubChem CID672510
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC NameN-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1
InChIInChI=1S/C15H18N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,18)
InChIKeyGWMZRYSJTLLFNK-UHFFFAOYSA-N
XLogP4.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)piperidine-4-carboxamide
CID 43702575
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
trans-(1R,2R)-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94848507
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 64822745
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 43702585
(1R,2S,3S,4R)-3-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98336494
4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074036
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 60866672
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-9H-xanthene-9-carboxamide
CID 43952401
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)propanamide
CID 26116899
N-[2-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]cyclohexanecarboxamide
CID 20939459

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The IUPAC name of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide (CID 672510) is N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1.
What is the InChIKey of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
The InChIKey is GWMZRYSJTLLFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-19-15-17-12-8-7-11(9-13(12)20-15)16-14(18)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H,16,18).
What are the key properties of N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide?
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide has a molecular weight of 306.46 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide is sourced from PubChem (CID 672510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).