1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

C13H22N2O3S — CID 61283235

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1nc(CNCC(O)COCC2CCCO2)cs1
InChIInChI=1S/C13H22N2O3S/c1-10-15-11(9-19-10)5-14-6-12(16)7-17-8-13-3-2-4-18-13/h9,12-14,16H,2-8H2,1H3
InChIKeyUHBQANYRPNUOKS-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.10
Rot. Bonds8

About 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol

1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (PubChem CID 61283235) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
PubChem CID61283235
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
SMILESCc1nc(CNCC(O)COCC2CCCO2)cs1
InChIInChI=1S/C13H22N2O3S/c1-10-15-11(9-19-10)5-14-6-12(16)7-17-8-13-3-2-4-18-13/h9,12-14,16H,2-8H2,1H3
InChIKeyUHBQANYRPNUOKS-UHFFFAOYSA-N
XLogP1.10
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106372856
1-cyclopentyloxy-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 61280895
4-[[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]methyl]-3H-1,3-thiazol-2-one
CID 106380965
1-(3-ethoxypropylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634131
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 106302880
1-[(2-fluorophenyl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60633304
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]butan-2-ol
CID 61285786
(2R)-1-[2-(2-hydroxyethoxy)ethylamino]-3-[[(2S)-oxolan-2-yl]methoxy]propan-2-ol
CID 94562031
ethyl 2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]acetate
CID 54937670
1-[1-(5-methylfuran-2-yl)ethylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 61040225
1-(1-methoxypropan-2-yloxy)-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]propan-2-ol
CID 106989577
2-[[2-hydroxy-3-(oxolan-2-ylmethoxy)propyl]amino]-N,N-dimethylacetamide
CID 60901786

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol (CID 61283235) is 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is Cc1nc(CNCC(O)COCC2CCCO2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
The InChIKey is UHBQANYRPNUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-10-15-11(9-19-10)5-14-6-12(16)7-17-8-13-3-2-4-18-13/h9,12-14,16H,2-8H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol?
1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol has a molecular weight of 286.40 g/mol, XLogP of 1.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methylamino]-3-(oxolan-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 61283235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).