N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

C15H20N2S — CID 64687827

IUPACN-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(NC2=NCC(c3ccccc3)S2)CCCC1
InChIInChI=1S/C15H20N2S/c1-15(9-5-6-10-15)17-14-16-11-13(18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyPKDYCMAIRSAVFK-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.75
Rot. Bonds2

About N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine

N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 64687827) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID64687827
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1(NC2=NCC(c3ccccc3)S2)CCCC1
InChIInChI=1S/C15H20N2S/c1-15(9-5-6-10-15)17-14-16-11-13(18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,17)
InChIKeyPKDYCMAIRSAVFK-UHFFFAOYSA-N
XLogP3.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 64687827) is N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC1(NC2=NCC(c3ccccc3)S2)CCCC1.
What is the InChIKey of N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PKDYCMAIRSAVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-15(9-5-6-10-15)17-14-16-11-13(18-14)12-7-3-2-4-8-12/h2-4,7-8,13H,5-6,9-11H2,1H3,(H,16,17).
What are the key properties of N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 260.41 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclopentyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 64687827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).