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

C12H21N3S — CID 106582146

IUPAC4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCSCC1
InChIInChI=1S/C12H21N3S/c1-3-6-15-9-10(2)13-12(15)14-11-4-7-16-8-5-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXKLZDGHOXXEQCE-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.91
Rot. Bonds4

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

4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine (PubChem CID 106582146) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
PubChem CID106582146
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
SMILESCCCn1cc(C)nc1NC1CCSCC1
InChIInChI=1S/C12H21N3S/c1-3-6-15-9-10(2)13-12(15)14-11-4-7-16-8-5-11/h9,11H,3-8H2,1-2H3,(H,13,14)
InChIKeyXKLZDGHOXXEQCE-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-methyl-1-propylimidazol-2-amine
CID 106557173
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
CID 106582144
N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580084
4-methyl-N-(3-methylcyclopentyl)-1-propylimidazol-2-amine
CID 106581853
N-(3,4-dimethylcyclohexyl)-4-methyl-1-propylimidazol-2-amine
CID 106574600
1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582117
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-propylpiperidin-4-amine
CID 106568414
N-cyclopropyl-1-[2-[ethyl(methyl)amino]ethyl]-4-methylimidazol-2-amine
CID 106570435
N-(4-methyl-1-propylimidazol-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 106578356
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine (CID 106582146) is 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine is CCCn1cc(C)nc1NC1CCSCC1.
What is the InChIKey of 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine?
The InChIKey is XKLZDGHOXXEQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-3-6-15-9-10(2)13-12(15)14-11-4-7-16-8-5-11/h9,11H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine?
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine is sourced from PubChem (CID 106582146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).