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

C12H20N2S — CID 65168557

IUPAC4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2(C)CCCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-10(2)15-11(14-9)13-8-12(3)6-4-5-7-12/h4-8H2,1-3H3,(H,13,14)
InChIKeyDVFXAEGIBMOREI-UHFFFAOYSA-N
MW224.37 g/mol
LogP3.75
Rot. Bonds3

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

4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine (PubChem CID 65168557) has the molecular formula C12H20N2S and a molecular weight of 224.37 g/mol. Its IUPAC name is 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine
PubChem CID65168557
Molecular FormulaC12H20N2S
Molecular Weight224.37 g/mol
Exact Mass224.13
IUPAC Name4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCC2(C)CCCC2)sc1C
InChIInChI=1S/C12H20N2S/c1-9-10(2)15-11(14-9)13-8-12(3)6-4-5-7-12/h4-8H2,1-3H3,(H,13,14)
InChIKeyDVFXAEGIBMOREI-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine (CID 65168557) is 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine is Cc1nc(NCC2(C)CCCC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DVFXAEGIBMOREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S/c1-9-10(2)15-11(14-9)13-8-12(3)6-4-5-7-12/h4-8H2,1-3H3,(H,13,14).
What are the key properties of 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 224.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[(1-methylcyclopentyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 65168557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).