N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine

C14H18N2S — CID 64501242

IUPACN-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2S/c1-10-6-7-11(8-10)15-9-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyYGWMCGFJKHZXMG-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.57
Rot. Bonds3

About N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine

N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine (PubChem CID 64501242) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
PubChem CID64501242
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
SMILESCC1CCC(NCc2nc3ccccc3s2)C1
InChIInChI=1S/C14H18N2S/c1-10-6-7-11(8-10)15-9-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3
InChIKeyYGWMCGFJKHZXMG-UHFFFAOYSA-N
XLogP3.57
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-(1,3-benzothiazol-2-ylmethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 43080809
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 61309719
(3S,7S,8aS)-7-(1,3-benzothiazol-2-ylmethylamino)-3-methyl-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 126461516
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine (CID 64501242) is N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine is CC1CCC(NCc2nc3ccccc3s2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine?
The InChIKey is YGWMCGFJKHZXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-6-7-11(8-10)15-9-14-16-12-4-2-3-5-13(12)17-14/h2-5,10-11,15H,6-9H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine?
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine has a molecular weight of 246.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 64501242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).