3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine

C14H22N2S — CID 80699805

IUPAC3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C14H22N2S/c1-13(2)7-8-14(15,9-13)12-16-10-5-3-4-6-11(10)17-12/h3-9,15H2,1-2H3
InChIKeyASROLPFWJMMQDQ-UHFFFAOYSA-N
MW250.41 g/mol
LogP3.39
Rot. Bonds1

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

3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (PubChem CID 80699805) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
PubChem CID80699805
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
SMILESCC1(C)CCC(N)(c2nc3c(s2)CCCC3)C1
InChIInChI=1S/C14H22N2S/c1-13(2)7-8-14(15,9-13)12-16-10-5-3-4-6-11(10)17-12/h3-9,15H2,1-2H3
InChIKeyASROLPFWJMMQDQ-UHFFFAOYSA-N
XLogP3.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61338476
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
CID 65085220
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-propan-2-ylcyclobutan-1-amine
CID 103563881
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-1-ethylazepan-4-amine
CID 65077594
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)-4,4-dimethyl-2,3-dihydronaphthalen-1-amine
CID 61333068
3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61331499
3-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5,5-dimethyl-N-propan-2-ylthian-3-amine
CID 79947622
3,3-dimethyl-1-(4-methyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 80699456
4-methyl-1-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylcyclohexan-1-amine
CID 114818537
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
CID 64754364
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N,3,3,5-tetramethylcyclohexan-1-amine
CID 61332157

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine (CID 80699805) is 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is CC1(C)CCC(N)(c2nc3c(s2)CCCC3)C1.
What is the InChIKey of 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
The InChIKey is ASROLPFWJMMQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-13(2)7-8-14(15,9-13)12-16-10-5-3-4-6-11(10)17-12/h3-9,15H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine?
3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine has a molecular weight of 250.41 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 80699805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).