N-propyl-1-(thian-4-yl)imidazol-2-amine

C11H19N3S — CID 106582155

IUPACN-propyl-1-(thian-4-yl)imidazol-2-amine
SMILESCCCNc1nccn1C1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13)
InChIKeyBCDBINIWDVRKFR-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.77
Rot. Bonds4

About N-propyl-1-(thian-4-yl)imidazol-2-amine

N-propyl-1-(thian-4-yl)imidazol-2-amine (PubChem CID 106582155) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-propyl-1-(thian-4-yl)imidazol-2-amine.

Molecular Properties

Compound NameN-propyl-1-(thian-4-yl)imidazol-2-amine
PubChem CID106582155
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-propyl-1-(thian-4-yl)imidazol-2-amine
SMILESCCCNc1nccn1C1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13)
InChIKeyBCDBINIWDVRKFR-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-propyl-1-(thiolan-3-yl)imidazol-2-amine
CID 106583171
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
N-(2-methoxyethyl)-1-(thiolan-3-yl)imidazol-2-amine
CID 106583170
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-methylcyclobutyl)imidazol-2-amine
CID 106581425
1-cyclopropyl-N-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581393
1-cyclopentyl-N-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574332
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
1-cyclopentyl-N-(2-cyclopropylethyl)imidazol-2-amine
CID 106575827
N-(2-methoxyethyl)-1-(thian-3-yl)imidazol-2-amine
CID 106582594

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(thian-4-yl)imidazol-2-amine?
The IUPAC name of N-propyl-1-(thian-4-yl)imidazol-2-amine (CID 106582155) is N-propyl-1-(thian-4-yl)imidazol-2-amine.
What is the SMILES notation for N-propyl-1-(thian-4-yl)imidazol-2-amine?
The canonical SMILES for N-propyl-1-(thian-4-yl)imidazol-2-amine is CCCNc1nccn1C1CCSCC1.
What is the InChIKey of N-propyl-1-(thian-4-yl)imidazol-2-amine?
The InChIKey is BCDBINIWDVRKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-5-12-11-13-6-7-14(11)10-3-8-15-9-4-10/h6-7,10H,2-5,8-9H2,1H3,(H,12,13).
What are the key properties of N-propyl-1-(thian-4-yl)imidazol-2-amine?
N-propyl-1-(thian-4-yl)imidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(thian-4-yl)imidazol-2-amine is sourced from PubChem (CID 106582155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).