4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol

C13H24N2O3S — CID 64911001

IUPAC4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
SMILESCc1ncsc1CCOCC(O)CNCCC(C)O
InChIInChI=1S/C13H24N2O3S/c1-10(16)3-5-14-7-12(17)8-18-6-4-13-11(2)15-9-19-13/h9-10,12,14,16-17H,3-8H2,1-2H3
InChIKeyHMNCPHRKAFHQME-UHFFFAOYSA-N
MW288.41 g/mol
LogP0.73
Rot. Bonds10

About 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol

4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol (PubChem CID 64911001) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol.

Molecular Properties

Compound Name4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
PubChem CID64911001
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
SMILESCc1ncsc1CCOCC(O)CNCCC(C)O
InChIInChI=1S/C13H24N2O3S/c1-10(16)3-5-14-7-12(17)8-18-6-4-13-11(2)15-9-19-13/h9-10,12,14,16-17H,3-8H2,1-2H3
InChIKeyHMNCPHRKAFHQME-UHFFFAOYSA-N
XLogP0.73
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
1-[2-[methyl(propan-2-yl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62642692
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 114467258
1-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-3-(4,4,4-trifluorobutylamino)propan-2-ol
CID 115518407
3-[[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]methyl]pentan-3-ol
CID 65111546
1-[2-(3-hydroxypropylsulfanyl)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 106310112
3-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-4-methylpentan-1-ol
CID 104891894
2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-N,N-dimethylacetamide
CID 60901617
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 62977404
N-ethyl-2-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]propanamide
CID 61477069
1-[(2-methylcyclopentyl)amino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 63281619

Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol?
The IUPAC name of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol (CID 64911001) is 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol.
What is the SMILES notation for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol?
The canonical SMILES for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol is Cc1ncsc1CCOCC(O)CNCCC(C)O.
What is the InChIKey of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol?
The InChIKey is HMNCPHRKAFHQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-10(16)3-5-14-7-12(17)8-18-6-4-13-11(2)15-9-19-13/h9-10,12,14,16-17H,3-8H2,1-2H3.
What are the key properties of 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol?
4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol has a molecular weight of 288.41 g/mol, XLogP of 0.73, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol is sourced from PubChem (CID 64911001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).