1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine

C13H23N3OS — CID 106582144

IUPAC1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CCSCC1
InChIInChI=1S/C13H23N3OS/c1-11-10-16(6-3-7-17-2)13(14-11)15-12-4-8-18-9-5-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyHDHROJUMWDOASQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.54
Rot. Bonds6

About 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine

1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine (PubChem CID 106582144) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
PubChem CID106582144
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine
SMILESCOCCCn1cc(C)nc1NC1CCSCC1
InChIInChI=1S/C13H23N3OS/c1-11-10-16(6-3-7-17-2)13(14-11)15-12-4-8-18-9-5-12/h10,12H,3-9H2,1-2H3,(H,14,15)
InChIKeyHDHROJUMWDOASQ-UHFFFAOYSA-N
XLogP2.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106554952
4-methyl-1-propyl-N-(thian-4-yl)imidazol-2-amine
CID 106582146
N-cyclopentyl-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554862
1-(3-methoxypropyl)-4-methyl-N-(3-methylcyclohexyl)imidazol-2-amine
CID 106561751
1-(2-methoxyethyl)-4-methyl-N-(4-methylcyclohexyl)imidazol-2-amine
CID 106560145
N-(2,2-dimethylcyclopropyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564748
N-(1,1-dioxothian-4-yl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106562574
N-cyclopropyl-4-methyl-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580084
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1-propylpiperidin-4-amine
CID 106568414
1-(3-methoxypropyl)-4-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]imidazol-2-amine
CID 106563052
1-(2-methoxyethyl)-4-methyl-N-(oxolan-3-yl)imidazol-2-amine
CID 106577277
N-[1-(2-methoxyethyl)-4-methylimidazol-2-yl]-1,2-dimethylpiperidin-4-amine
CID 106578397

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine?
The IUPAC name of 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine (CID 106582144) is 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine is COCCCn1cc(C)nc1NC1CCSCC1.
What is the InChIKey of 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine?
The InChIKey is HDHROJUMWDOASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-11-10-16(6-3-7-17-2)13(14-11)15-12-4-8-18-9-5-12/h10,12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine?
1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine has a molecular weight of 269.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-4-methyl-N-(thian-4-yl)imidazol-2-amine is sourced from PubChem (CID 106582144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).