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

C14H18N2S — CID 113467323

IUPACN-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CC(NC2=NCC(c3ccccc3)S2)C1
InChIInChI=1S/C14H18N2S/c1-10-7-12(8-10)16-14-15-9-13(17-14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,15,16)
InChIKeySHMGCDMPLVFPDC-UHFFFAOYSA-N
MW246.38 g/mol
LogP3.22
Rot. Bonds2

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

N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 113467323) has the molecular formula C14H18N2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID113467323
Molecular FormulaC14H18N2S
Molecular Weight246.38 g/mol
Exact Mass246.12
IUPAC NameN-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC1CC(NC2=NCC(c3ccccc3)S2)C1
InChIInChI=1S/C14H18N2S/c1-10-7-12(8-10)16-14-15-9-13(17-14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,15,16)
InChIKeySHMGCDMPLVFPDC-UHFFFAOYSA-N
XLogP3.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine (CID 113467323) is N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is CC1CC(NC2=NCC(c3ccccc3)S2)C1.
What is the InChIKey of N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is SHMGCDMPLVFPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2S/c1-10-7-12(8-10)16-14-15-9-13(17-14)11-5-3-2-4-6-11/h2-6,10,12-13H,7-9H2,1H3,(H,15,16).
What are the key properties of N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine?
N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 246.38 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclobutyl)-5-phenyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 113467323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).