(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol

C11H18N2O2S — CID 100624433

IUPAC(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)NCc1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2O2S/c1-15-7-8(6-14)12-5-11-13-9-3-2-4-10(9)16-11/h8,12,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyPEUZEFZPIZONHW-QMMMGPOBSA-N
MW242.34 g/mol
LogP0.73
Rot. Bonds6

About (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol

(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol (PubChem CID 100624433) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol
PubChem CID100624433
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Name(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol
SMILESCOC[C@H](CO)NCc1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2O2S/c1-15-7-8(6-14)12-5-11-13-9-3-2-4-10(9)16-11/h8,12,14H,2-7H2,1H3/t8-/m0/s1
InChIKeyPEUZEFZPIZONHW-QMMMGPOBSA-N
XLogP0.73
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol?
The IUPAC name of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol (CID 100624433) is (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol.
What is the SMILES notation for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol?
The canonical SMILES for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol is COC[C@H](CO)NCc1nc2c(s1)CCC2.
What is the InChIKey of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol?
The InChIKey is PEUZEFZPIZONHW-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-15-7-8(6-14)12-5-11-13-9-3-2-4-10(9)16-11/h8,12,14H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol?
(2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol has a molecular weight of 242.34 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethylamino)-3-methoxypropan-1-ol is sourced from PubChem (CID 100624433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).