4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide

C15H18N2OS — CID 127041014

IUPAC4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nsc3ccccc23)CC1
InChIInChI=1S/C15H18N2OS/c1-16-15(18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)19-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,18)
InChIKeyDIVDXOWVTSMQMN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.32
Rot. Bonds2

About 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide

4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide (PubChem CID 127041014) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide
PubChem CID127041014
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(c2nsc3ccccc23)CC1
InChIInChI=1S/C15H18N2OS/c1-16-15(18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)19-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,18)
InChIKeyDIVDXOWVTSMQMN-UHFFFAOYSA-N
XLogP3.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide (CID 127041014) is 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(c2nsc3ccccc23)CC1.
What is the InChIKey of 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is DIVDXOWVTSMQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-15(18)11-8-6-10(7-9-11)14-12-4-2-3-5-13(12)19-17-14/h2-5,10-11H,6-9H2,1H3,(H,16,18).
What are the key properties of 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide?
4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzothiazol-3-yl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 127041014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).