3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol

C13H18N2O2S — CID 111449190

IUPAC3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-2-10(5-6-16)14-8-11-9-18-13(15-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyLYUOGNLBMARROW-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.65
Rot. Bonds7

About 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol

3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol (PubChem CID 111449190) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol.

Molecular Properties

Compound Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
PubChem CID111449190
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC Name3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol
SMILESCCC(CCO)NCc1csc(-c2ccco2)n1
InChIInChI=1S/C13H18N2O2S/c1-2-10(5-6-16)14-8-11-9-18-13(15-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3
InChIKeyLYUOGNLBMARROW-UHFFFAOYSA-N
XLogP2.65
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]butan-1-ol
CID 110884307
(2R)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-3-phenylpropanoic acid
CID 99779339
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
2-(furan-2-yl)-N-(1-hydroxypentan-3-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 115735226
1-(3-ethoxyphenyl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 86864116
2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]-2-methylpentanoic acid
CID 43619497
2-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]butan-1-ol
CID 111489708
tert-butyl N-[1-(furan-2-yl)-2-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]propyl]carbamate
CID 166392197
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-N-propylpropan-1-amine
CID 86989378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
CID 43573534
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
CID 133492755

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol?
The IUPAC name of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol (CID 111449190) is 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol.
What is the SMILES notation for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol?
The canonical SMILES for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol is CCC(CCO)NCc1csc(-c2ccco2)n1.
What is the InChIKey of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol?
The InChIKey is LYUOGNLBMARROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c1-2-10(5-6-16)14-8-11-9-18-13(15-11)12-4-3-7-17-12/h3-4,7,9-10,14,16H,2,5-6,8H2,1H3.
What are the key properties of 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol?
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol has a molecular weight of 266.37 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methylamino]pentan-1-ol is sourced from PubChem (CID 111449190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).