(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol

C11H18N2OS — CID 103874846

IUPAC(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2OS/c1-7(6-14)12-8(2)11-13-9-4-3-5-10(9)15-11/h7-8,12,14H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyCTLVKKSKELDBNK-JAMMHHFISA-N
MW226.34 g/mol
LogP1.66
Rot. Bonds4

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

(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol (PubChem CID 103874846) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol
PubChem CID103874846
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol
SMILESCC(N[C@@H](C)CO)c1nc2c(s1)CCC2
InChIInChI=1S/C11H18N2OS/c1-7(6-14)12-8(2)11-13-9-4-3-5-10(9)15-11/h7-8,12,14H,3-6H2,1-2H3/t7-,8?/m0/s1
InChIKeyCTLVKKSKELDBNK-JAMMHHFISA-N
XLogP1.66
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-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-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol?
The IUPAC name of (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol (CID 103874846) is (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol.
What is the SMILES notation for (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol?
The canonical SMILES for (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol is CC(N[C@@H](C)CO)c1nc2c(s1)CCC2.
What is the InChIKey of (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol?
The InChIKey is CTLVKKSKELDBNK-JAMMHHFISA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7(6-14)12-8(2)11-13-9-4-3-5-10(9)15-11/h7-8,12,14H,3-6H2,1-2H3/t7-,8?/m0/s1.
What are the key properties of (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol?
(2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol has a molecular weight of 226.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]propan-1-ol is sourced from PubChem (CID 103874846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).