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

C11H19N3S — CID 106582117

IUPAC1-propyl-N-(thian-4-yl)imidazol-2-amine
SMILESCCCn1ccnc1NC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-6-14-7-5-12-11(14)13-10-3-8-15-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)
InChIKeyCTJFAEWXIPUMSY-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.60
Rot. Bonds4

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

1-propyl-N-(thian-4-yl)imidazol-2-amine (PubChem CID 106582117) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-propyl-N-(thian-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-propyl-N-(thian-4-yl)imidazol-2-amine
PubChem CID106582117
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-propyl-N-(thian-4-yl)imidazol-2-amine
SMILESCCCn1ccnc1NC1CCSCC1
InChIInChI=1S/C11H19N3S/c1-2-6-14-7-5-12-11(14)13-10-3-8-15-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13)
InChIKeyCTJFAEWXIPUMSY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581825
N-cyclopropyl-1-pentylimidazol-2-amine
CID 106556933
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
N-(1-prop-2-enylimidazol-2-yl)-1-propylpiperidin-4-amine
CID 106568405
1-methyl-N-(thiolan-3-yl)imidazol-2-amine
CID 103063471
1-(3-methoxypropyl)-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560148
1-(3-ethoxypropyl)-N-(4-propylcyclohexyl)imidazol-2-amine
CID 106566481
N-cyclopropyl-1-(2-methylbutyl)imidazol-2-amine
CID 106570372
1-butyl-N-(3,3-dimethylcyclopentyl)imidazol-2-amine
CID 106582100
N-cyclopentyl-1-[2-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106571890
N-cyclopropyl-1-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580550
N-cyclopropyl-1-[3-(2-methylpiperidin-1-yl)propyl]imidazol-2-amine
CID 106557493

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(thian-4-yl)imidazol-2-amine?
The IUPAC name of 1-propyl-N-(thian-4-yl)imidazol-2-amine (CID 106582117) is 1-propyl-N-(thian-4-yl)imidazol-2-amine.
What is the SMILES notation for 1-propyl-N-(thian-4-yl)imidazol-2-amine?
The canonical SMILES for 1-propyl-N-(thian-4-yl)imidazol-2-amine is CCCn1ccnc1NC1CCSCC1.
What is the InChIKey of 1-propyl-N-(thian-4-yl)imidazol-2-amine?
The InChIKey is CTJFAEWXIPUMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-2-6-14-7-5-12-11(14)13-10-3-8-15-9-4-10/h5,7,10H,2-4,6,8-9H2,1H3,(H,12,13).
What are the key properties of 1-propyl-N-(thian-4-yl)imidazol-2-amine?
1-propyl-N-(thian-4-yl)imidazol-2-amine has a molecular weight of 225.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(thian-4-yl)imidazol-2-amine is sourced from PubChem (CID 106582117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).