N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine

C15H20N2S — CID 130399393

IUPACN-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)C3CCCCC3)sc2c1
InChIInChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(16-13)17(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyPKFLPGUSAJOLGD-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.37
Rot. Bonds2

About N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine

N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 130399393) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
PubChem CID130399393
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(N(C)C3CCCCC3)sc2c1
InChIInChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(16-13)17(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3
InChIKeyPKFLPGUSAJOLGD-UHFFFAOYSA-N
XLogP4.37
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine (CID 130399393) is N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(N(C)C3CCCCC3)sc2c1.
What is the InChIKey of N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is PKFLPGUSAJOLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(16-13)17(2)12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine?
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 130399393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).