1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine

C16H22N2S — CID 117438981

IUPAC1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine
SMILESCC(C)c1nc2ccc(C3(N)CCCCC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-11(2)15-18-13-7-6-12(10-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyLOAJBGDIHIQLTA-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.54
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine

1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine (PubChem CID 117438981) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine
PubChem CID117438981
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC Name1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine
SMILESCC(C)c1nc2ccc(C3(N)CCCCC3)cc2s1
InChIInChI=1S/C16H22N2S/c1-11(2)15-18-13-7-6-12(10-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3
InChIKeyLOAJBGDIHIQLTA-UHFFFAOYSA-N
XLogP4.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxylic acid
CID 117407859
1-amino-N-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclopropane-1-carboxamide
CID 119753611
5-(2-propan-2-yl-1,3-benzothiazol-6-yl)-1,3,5-triazaspiro[5.5]undeca-1,3-diene-2,4-diamine
CID 169376979
6-chloro-2-propan-2-yl-1,3-benzothiazole
CID 18340659
1-(6-chloro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 79528035
1-(6-bromo-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 79534201
1-(2-propan-2-yl-1,3-benzoxazol-5-yl)cyclohexan-1-amine
CID 117399850
1-(6-chloro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 79527764
1-(2-propan-2-yl-1,3-benzothiazol-5-yl)cyclobutane-1-carboxylic acid
CID 117440727
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287
N-[(2-propan-2-yl-1,3-benzothiazol-6-yl)methyl]cyclopentanamine
CID 166557540
[1-(2-tert-butyl-1,3-benzothiazol-6-yl)cyclohexyl]methanamine
CID 117487447

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine?
The IUPAC name of 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine (CID 117438981) is 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine?
The canonical SMILES for 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine is CC(C)c1nc2ccc(C3(N)CCCCC3)cc2s1.
What is the InChIKey of 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine?
The InChIKey is LOAJBGDIHIQLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(2)15-18-13-7-6-12(10-14(13)19-15)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3.
What are the key properties of 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine?
1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-benzothiazol-6-yl)cyclohexan-1-amine is sourced from PubChem (CID 117438981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).