N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine

C15H20N2S — CID 107417972

IUPACN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2S/c1-11-5-4-6-12(11)9-16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3
InChIKeyRLCKGDLWYZBMHC-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.82
Rot. Bonds4

About N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine

N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine (PubChem CID 107417972) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
PubChem CID107417972
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine
SMILESCC1CCCC1CNCc1nc2ccccc2s1
InChIInChI=1S/C15H20N2S/c1-11-5-4-6-12(11)9-16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3
InChIKeyRLCKGDLWYZBMHC-UHFFFAOYSA-N
XLogP3.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-1-(5-methyloxolan-2-yl)methanamine
CID 82834430
N-(1,3-benzothiazol-2-ylmethyl)-1-piperidin-3-ylmethanamine
CID 80553613
1-[2-(1,3-benzothiazol-2-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 81025561
N-(1,3-benzothiazol-2-ylmethyl)-1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)methanamine
CID 66396186
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155
1-[(1,3-benzothiazol-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 65111068
N-(1,3-benzothiazol-2-ylmethyl)-1-cyclopentylethanamine
CID 62632788
(2R)-1-[4-[(1,3-benzothiazol-2-ylmethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95606777
N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 79818538

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine (CID 107417972) is N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine is CC1CCCC1CNCc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine?
The InChIKey is RLCKGDLWYZBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-11-5-4-6-12(11)9-16-10-15-17-13-7-2-3-8-14(13)18-15/h2-3,7-8,11-12,16H,4-6,9-10H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine?
N-(1,3-benzothiazol-2-ylmethyl)-1-(2-methylcyclopentyl)methanamine has a molecular weight of 260.41 g/mol, XLogP of 3.82, 4 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)-1-(2-methylcyclopentyl)methanamine is sourced from PubChem (CID 107417972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).