1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine

C14H17N3S — CID 106576809

IUPAC1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC2CCCS2)cc1
InChIInChI=1S/C14H17N3S/c1-2-5-12(6-3-1)17-9-8-15-14(17)16-11-13-7-4-10-18-13/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16)
InChIKeyRQIRTLIFSNPSAC-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.18
Rot. Bonds4

About 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine

1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine (PubChem CID 106576809) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
PubChem CID106576809
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
SMILESc1ccc(-n2ccnc2NCC2CCCS2)cc1
InChIInChI=1S/C14H17N3S/c1-2-5-12(6-3-1)17-9-8-15-14(17)16-11-13-7-4-10-18-13/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16)
InChIKeyRQIRTLIFSNPSAC-UHFFFAOYSA-N
XLogP3.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-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

Related Compounds

N-(cyclohexylmethyl)-1-phenylimidazol-2-amine
CID 106561651
N-(2,2-dicyclopropylethyl)-1-phenylimidazol-2-amine
CID 106575715
1-cyclopentyl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577148
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
N-cycloheptyl-1-phenylimidazol-2-amine
CID 106561276
1-(3-ethoxypropyl)-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576791
N-[(1-methylcyclopentyl)methyl]-1-phenylimidazol-2-amine
CID 106572301
2-N,2-N,2-trimethyl-1-N-(1-phenylimidazol-2-yl)propane-1,2-diamine
CID 106569028
2-cyclobutyl-N-(1-phenylimidazol-2-yl)acetamide
CID 91653270
5-chloro-N-(thiolan-2-ylmethyl)-1,3-thiazol-2-amine
CID 130831454
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
CID 106560530

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine (CID 106576809) is 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine is c1ccc(-n2ccnc2NCC2CCCS2)cc1.
What is the InChIKey of 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
The InChIKey is RQIRTLIFSNPSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-5-12(6-3-1)17-9-8-15-14(17)16-11-13-7-4-10-18-13/h1-3,5-6,8-9,13H,4,7,10-11H2,(H,15,16).
What are the key properties of 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine?
1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine has a molecular weight of 259.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiolan-2-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106576809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).