N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine

C12H20N2S — CID 115774654

IUPACN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCc1nc(CNC2CCC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-4-5-11(6-8)13-7-12-9(2)15-10(3)14-12/h8,11,13H,4-7H2,1-3H3
InChIKeyHCYCJTVNKBKNKU-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.04
Rot. Bonds3

About N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine (PubChem CID 115774654) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine
PubChem CID115774654
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC NameN-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine
SMILESCc1nc(CNC2CCC(C)C2)c(C)s1
InChIInChI=1S/C12H20N2S/c1-8-4-5-11(6-8)13-7-12-9(2)15-10(3)14-12/h8,11,13H,4-7H2,1-3H3
InChIKeyHCYCJTVNKBKNKU-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.37
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine?
The IUPAC name of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine (CID 115774654) is N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine?
The canonical SMILES for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine is Cc1nc(CNC2CCC(C)C2)c(C)s1.
What is the InChIKey of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine?
The InChIKey is HCYCJTVNKBKNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-8-4-5-11(6-8)13-7-12-9(2)15-10(3)14-12/h8,11,13H,4-7H2,1-3H3.
What are the key properties of N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine?
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine has a molecular weight of 224.37 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-methylcyclopentan-1-amine is sourced from PubChem (CID 115774654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).