[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol

C13H20N2O2S — CID 110017310

IUPAC[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCC(NCC1(CO)COC1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H20N2O2S/c1-9(14-5-13(6-16)7-17-8-13)12-15-10-3-2-4-11(10)18-12/h9,14,16H,2-8H2,1H3
InChIKeyUJAAJLZIYNMTPP-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.29
Rot. Bonds5

About [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol

[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol (PubChem CID 110017310) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol
PubChem CID110017310
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol
SMILESCC(NCC1(CO)COC1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H20N2O2S/c1-9(14-5-13(6-16)7-17-8-13)12-15-10-3-2-4-11(10)18-12/h9,14,16H,2-8H2,1H3
InChIKeyUJAAJLZIYNMTPP-UHFFFAOYSA-N
XLogP1.29
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

1-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110017270
(2R)-2-[(3S)-3-methylmorpholin-4-yl]-N-[(1S)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propan-1-amine
CID 99851106
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 75445047
2-[2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]phenoxy]ethanol
CID 110017286
1-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)-N-methylethanamine
CID 5152860
N-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115869707
N-(3-bromophenyl)-N'-[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]ethane-1,2-diamine
CID 86814853
(1R)-N-[2-(4-cyclopropyl-1,3-thiazol-2-yl)ethyl]-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethanamine
CID 97251259
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole;2-propan-2-yl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazole
CID 167624671
N-[5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl-(1-methylsulfanylcyclobutyl)methyl]ethanamine
CID 114269916
N-[cyclopentyl(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)methyl]ethanamine
CID 62071955
1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethanamine
CID 4311279

Frequently Asked Questions

What is the IUPAC name of [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol (CID 110017310) is [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol is CC(NCC1(CO)COC1)c1nc2c(s1)CCC2.
What is the InChIKey of [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol?
The InChIKey is UJAAJLZIYNMTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-9(14-5-13(6-16)7-17-8-13)12-15-10-3-2-4-11(10)18-12/h9,14,16H,2-8H2,1H3.
What are the key properties of [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol?
[3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol has a molecular weight of 268.38 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethylamino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 110017310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).