1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

C13H24N2O2S — CID 61193911

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nc(C)c(C(C)NCC(O)COC(C)C)s1
InChIInChI=1S/C13H24N2O2S/c1-8(2)17-7-12(16)6-14-9(3)13-10(4)15-11(5)18-13/h8-9,12,14,16H,6-7H2,1-5H3
InChIKeyATHSWQLKAQZLLT-UHFFFAOYSA-N
MW272.41 g/mol
LogP2.20
Rot. Bonds7

About 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 61193911) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID61193911
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCc1nc(C)c(C(C)NCC(O)COC(C)C)s1
InChIInChI=1S/C13H24N2O2S/c1-8(2)17-7-12(16)6-14-9(3)13-10(4)15-11(5)18-13/h8-9,12,14,16H,6-7H2,1-5H3
InChIKeyATHSWQLKAQZLLT-UHFFFAOYSA-N
XLogP2.20
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
CID 63929030
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
CID 115729166
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2,3-trimethylbutan-1-amine
CID 102613655
1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 61193911) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is Cc1nc(C)c(C(C)NCC(O)COC(C)C)s1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is ATHSWQLKAQZLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-8(2)17-7-12(16)6-14-9(3)13-10(4)15-11(5)18-13/h8-9,12,14,16H,6-7H2,1-5H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 272.41 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 61193911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).