N-propyl-1-(thiolan-3-yl)imidazol-2-amine

C10H17N3S — CID 106583171

IUPACN-propyl-1-(thiolan-3-yl)imidazol-2-amine
SMILESCCCNc1nccn1C1CCSC1
InChIInChI=1S/C10H17N3S/c1-2-4-11-10-12-5-6-13(10)9-3-7-14-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,11,12)
InChIKeyCRPDILAVZXMLGZ-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.38
Rot. Bonds4

About N-propyl-1-(thiolan-3-yl)imidazol-2-amine

N-propyl-1-(thiolan-3-yl)imidazol-2-amine (PubChem CID 106583171) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-propyl-1-(thiolan-3-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-propyl-1-(thiolan-3-yl)imidazol-2-amine
PubChem CID106583171
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-propyl-1-(thiolan-3-yl)imidazol-2-amine
SMILESCCCNc1nccn1C1CCSC1
InChIInChI=1S/C10H17N3S/c1-2-4-11-10-12-5-6-13(10)9-3-7-14-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,11,12)
InChIKeyCRPDILAVZXMLGZ-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thian-4-yl)imidazol-2-amine
CID 106582155
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594
N-(1-methoxypropan-2-yl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583133
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581425
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
CID 106567867
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1-cyclopropyl-3-(propylamino)pyrazin-2-one
CID 62938241
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thiolan-3-yl)imidazol-2-amine?
The IUPAC name of N-propyl-1-(thiolan-3-yl)imidazol-2-amine (CID 106583171) is N-propyl-1-(thiolan-3-yl)imidazol-2-amine.
What is the SMILES notation for N-propyl-1-(thiolan-3-yl)imidazol-2-amine?
The canonical SMILES for N-propyl-1-(thiolan-3-yl)imidazol-2-amine is CCCNc1nccn1C1CCSC1.
What is the InChIKey of N-propyl-1-(thiolan-3-yl)imidazol-2-amine?
The InChIKey is CRPDILAVZXMLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-2-4-11-10-12-5-6-13(10)9-3-7-14-8-9/h5-6,9H,2-4,7-8H2,1H3,(H,11,12).
What are the key properties of N-propyl-1-(thiolan-3-yl)imidazol-2-amine?
N-propyl-1-(thiolan-3-yl)imidazol-2-amine has a molecular weight of 211.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thiolan-3-yl)imidazol-2-amine is sourced from PubChem (CID 106583171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).