1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol

C10H19N3OS — CID 43166313

IUPAC1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1nccn1C
InChIInChI=1S/C10H19N3OS/c1-8(2)12-6-9(14)7-15-10-11-4-5-13(10)3/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyFRJRLDVTAIMYCB-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.87
Rot. Bonds6

About 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol

1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol (PubChem CID 43166313) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
PubChem CID43166313
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)CSc1nccn1C
InChIInChI=1S/C10H19N3OS/c1-8(2)12-6-9(14)7-15-10-11-4-5-13(10)3/h4-5,8-9,12,14H,6-7H2,1-3H3
InChIKeyFRJRLDVTAIMYCB-UHFFFAOYSA-N
XLogP0.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S)-1-methyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium-6-ol bromide
CID 168341579
(6S)-1-methyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium-6-ol chloride
CID 168341580
(6R)-1-methyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium-6-ol chloride
CID 168341585
1,1,1-Trifluoro-3-(1-imidazol-1-ylpropan-2-ylamino)propan-2-ol
CID 63901689
1-fluoro-3-[(1-methyl-1H-imidazol-2-yl)sulfanyl]propan-2-ol
CID 165595009
5H,6H,7H-imidazo[2,1-b][1,3]thiazin-6-ol
CID 4738567
2-Methyl-3-(1-propylimidazol-2-yl)sulfanylpropan-1-ol
CID 19030942
1-Imidazol-1-yl-3-octylsulfanylpropan-2-ol
CID 21423771
1-Butylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423780
1-Imidazol-1-yl-3-nonylsulfanylpropan-2-ol
CID 21423782
1-Hexylsulfanyl-3-imidazol-1-ylpropan-2-ol
CID 21423811
1-Imidazol-1-yl-3-methylsulfanylpropan-2-ol
CID 21423817

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol (CID 43166313) is 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)CSc1nccn1C.
What is the InChIKey of 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is FRJRLDVTAIMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)12-6-9(14)7-15-10-11-4-5-13(10)3/h4-5,8-9,12,14H,6-7H2,1-3H3.
What are the key properties of 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol?
1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazol-2-yl)sulfanyl-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 43166313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).