4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine

C15H24N2S — CID 61338476

IUPAC4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H24N2S/c1-2-11-7-9-15(16,10-8-11)14-17-12-5-3-4-6-13(12)18-14/h11H,2-10,16H2,1H3
InChIKeyILWZQOVLZYZZCX-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.78
Rot. Bonds2

About 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine

4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (PubChem CID 61338476) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
PubChem CID61338476
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc3c(s2)CCCC3)CC1
InChIInChI=1S/C15H24N2S/c1-2-11-7-9-15(16,10-8-11)14-17-12-5-3-4-6-13(12)18-14/h11H,2-10,16H2,1H3
InChIKeyILWZQOVLZYZZCX-UHFFFAOYSA-N
XLogP3.78
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
CID 65085220
3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 80699805
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,4-diethylcycloheptan-1-amine
CID 65086029
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-ethyl-N-propan-2-ylcycloheptan-1-amine
CID 65085678
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethylazepan-4-amine
CID 65077594
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 63526246
N-ethyl-4-propyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 63405345
3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclohexan-1-amine
CID 64624248
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563881
4-ethyl-1-(4,4,6,6-tetramethylfuro[3,4-d][1,3]thiazol-2-yl)cyclohexan-1-amine
CID 79908327
4-methyl-1-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylcyclohexan-1-amine
CID 114818537
N-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-propylcyclohexan-1-amine
CID 63405358

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine (CID 61338476) is 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is CCC1CCC(N)(c2nc3c(s2)CCCC3)CC1.
What is the InChIKey of 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
The InChIKey is ILWZQOVLZYZZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-2-11-7-9-15(16,10-8-11)14-17-12-5-3-4-6-13(12)18-14/h11H,2-10,16H2,1H3.
What are the key properties of 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine?
4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine has a molecular weight of 264.44 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 61338476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).