N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

C16H22N2S — CID 115897391

IUPACN-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-11(17-12-8-9-16(2,3)10-12)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyKSFFDHCSEKXXCF-UHFFFAOYSA-N
MW274.43 g/mol
LogP4.53
Rot. Bonds3

About N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine

N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 115897391) has the molecular formula C16H22N2S and a molecular weight of 274.43 g/mol. Its IUPAC name is N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID115897391
Molecular FormulaC16H22N2S
Molecular Weight274.43 g/mol
Exact Mass274.15
IUPAC NameN-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC(NC1CCC(C)(C)C1)c1nc2ccccc2s1
InChIInChI=1S/C16H22N2S/c1-11(17-12-8-9-16(2,3)10-12)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12,17H,8-10H2,1-3H3
InChIKeyKSFFDHCSEKXXCF-UHFFFAOYSA-N
XLogP4.53
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.43
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(1,3-benzothiazol-2-yl)ethylamino]cyclohexane-1-carboxylic acid
CID 65054809
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-[1-(1,3-benzothiazol-2-yl)ethyl]-1,2-dimethylpiperidin-4-amine
CID 81345475
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-4-methylcyclohexan-1-ol
CID 65117649
N-[1-(2-methoxyphenyl)ethyl]-3,3-dimethylcyclopentan-1-amine
CID 80692056
1-(1,3-benzothiazol-2-yl)-N-(thian-4-ylmethyl)ethanamine
CID 115719986
1-(1,3-benzothiazol-2-yl)-N-(2-cyclopentylethyl)ethanamine
CID 54932145
2-[1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]cyclopropyl]ethanol
CID 114750790
fluoromethane;bis(2-propan-2-yl-1,3-benzothiazole)
CID 167583467
1-[[1-(1,3-benzothiazol-2-yl)ethylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 78914354
1-(1,3-benzothiazol-2-yl)-N-[(1-methylsulfanylcyclopropyl)methyl]ethanamine
CID 107270126
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine (CID 115897391) is N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is CC(NC1CCC(C)(C)C1)c1nc2ccccc2s1.
What is the InChIKey of N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is KSFFDHCSEKXXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S/c1-11(17-12-8-9-16(2,3)10-12)15-18-13-6-4-5-7-14(13)19-15/h4-7,11-12,17H,8-10H2,1-3H3.
What are the key properties of N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine?
N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 274.43 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzothiazol-2-yl)ethyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 115897391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).