1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol

C15H26N2O3S — CID 114467258

IUPAC1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCc1scnc1C
InChIInChI=1S/C15H26N2O3S/c1-12(2)9-20-7-5-16-8-14(18)10-19-6-4-15-13(3)17-11-21-15/h11,14,16,18H,1,4-10H2,2-3H3
InChIKeyZMQSHGMVVWRLOE-UHFFFAOYSA-N
MW314.45 g/mol
LogP1.55
Rot. Bonds12

About 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol

1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (PubChem CID 114467258) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
PubChem CID114467258
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
SMILESC=C(C)COCCNCC(O)COCCc1scnc1C
InChIInChI=1S/C15H26N2O3S/c1-12(2)9-20-7-5-16-8-14(18)10-19-6-4-15-13(3)17-11-21-15/h11,14,16,18H,1,4-10H2,2-3H3
InChIKeyZMQSHGMVVWRLOE-UHFFFAOYSA-N
XLogP1.55
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]butan-2-ol
CID 64911001
1-(2-methylpropylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 60635617
1-(2,2-difluoroethylamino)-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 115406578
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-(3-hydroxypropylsulfanyl)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol
CID 106310112
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
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
3-[[2-hydroxy-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propyl]amino]-4-methylpentan-1-ol
CID 104891894
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 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The IUPAC name of 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol (CID 114467258) is 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol.
What is the SMILES notation for 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The canonical SMILES for 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is C=C(C)COCCNCC(O)COCCc1scnc1C.
What is the InChIKey of 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
The InChIKey is ZMQSHGMVVWRLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-12(2)9-20-7-5-16-8-14(18)10-19-6-4-15-13(3)17-11-21-15/h11,14,16,18H,1,4-10H2,2-3H3.
What are the key properties of 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol?
1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol has a molecular weight of 314.45 g/mol, XLogP of 1.55, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylprop-2-enoxy)ethylamino]-3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-2-ol is sourced from PubChem (CID 114467258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).