N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine

C15H20N2S — CID 78908885

IUPACN-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCCCCC3)sc2c1
InChIInChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(17-13)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17)
InChIKeyRTUJPXITMSHDGY-UHFFFAOYSA-N
MW260.41 g/mol
LogP4.74
Rot. Bonds2

About N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine

N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine (PubChem CID 78908885) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
PubChem CID78908885
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
SMILESCc1ccc2nc(NC3CCCCCC3)sc2c1
InChIInChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(17-13)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17)
InChIKeyRTUJPXITMSHDGY-UHFFFAOYSA-N
XLogP4.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-N-(oxolan-3-yl)-1,3-benzothiazol-2-amine
CID 80713313
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
4-N-cyclohexyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)pyrimidine-4,5,6-triamine
CID 19135845
N-(3,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142849
1-cyclohexyl-3-(6-methyl-1,3-benzothiazol-2-yl)urea
CID 898347
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
6-methyl-N-(2-methyloxan-4-yl)-1,3-benzothiazol-2-amine
CID 114108893
1-methyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]piperidin-2-one
CID 79142513
2-(cyclopentylamino)-N,N-dimethyl-1,3-benzothiazole-6-carboxamide
CID 154653472
N-(2,4-dimethylcyclohexyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79142430
6-bromo-N-cyclopropyl-1,3-benzothiazol-2-amine
CID 45496579

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine?
The IUPAC name of N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine (CID 78908885) is N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine is Cc1ccc2nc(NC3CCCCCC3)sc2c1.
What is the InChIKey of N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine?
The InChIKey is RTUJPXITMSHDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-8-9-13-14(10-11)18-15(17-13)16-12-6-4-2-3-5-7-12/h8-10,12H,2-7H2,1H3,(H,16,17).
What are the key properties of N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine?
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 78908885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).