2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide

C15H19N3OS2 — CID 64822745

IUPAC2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCCC3N)cc2s1
InChIInChI=1S/C15H19N3OS2/c1-20-15-18-12-7-6-9(8-13(12)21-15)17-14(19)10-4-2-3-5-11(10)16/h6-8,10-11H,2-5,16H2,1H3,(H,17,19)
InChIKeyOUEQLOCPVRBIBW-UHFFFAOYSA-N
MW321.47 g/mol
LogP3.47
Rot. Bonds3

About 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide

2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide (PubChem CID 64822745) has the molecular formula C15H19N3OS2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
PubChem CID64822745
Molecular FormulaC15H19N3OS2
Molecular Weight321.47 g/mol
Exact Mass321.10
IUPAC Name2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
SMILESCSc1nc2ccc(NC(=O)C3CCCCC3N)cc2s1
InChIInChI=1S/C15H19N3OS2/c1-20-15-18-12-7-6-9(8-13(12)21-15)17-14(19)10-4-2-3-5-11(10)16/h6-8,10-11H,2-5,16H2,1H3,(H,17,19)
InChIKeyOUEQLOCPVRBIBW-UHFFFAOYSA-N
XLogP3.47
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 94848507
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexanecarboxamide
CID 672510
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
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclopentane-1-carboxamide
CID 60866672
1-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide
CID 43702585
2-amino-N-(2-methyl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 114996370
(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
3-amino-2,2,3-trimethyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)butanamide
CID 65264454
2-[[2-[(4-fluorophenyl)methylsulfanyl]-1,3-benzothiazol-6-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 132863124
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)benzamide
CID 959118

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide (CID 64822745) is 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide is CSc1nc2ccc(NC(=O)C3CCCCC3N)cc2s1.
What is the InChIKey of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
The InChIKey is OUEQLOCPVRBIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS2/c1-20-15-18-12-7-6-9(8-13(12)21-15)17-14(19)10-4-2-3-5-11(10)16/h6-8,10-11H,2-5,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide?
2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64822745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).