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

C11H20N2O2S — CID 63929030

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C11H20N2O2S/c1-7(12-5-10(14)6-15-4)11-8(2)13-9(3)16-11/h7,10,12,14H,5-6H2,1-4H3
InChIKeyPRRHNIMJOZWBQK-UHFFFAOYSA-N
MW244.36 g/mol
LogP1.42
Rot. Bonds6

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

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol (PubChem CID 63929030) has the molecular formula C11H20N2O2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
PubChem CID63929030
Molecular FormulaC11H20N2O2S
Molecular Weight244.36 g/mol
Exact Mass244.12
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
SMILESCOCC(O)CNC(C)c1sc(C)nc1C
InChIInChI=1S/C11H20N2O2S/c1-7(12-5-10(14)6-15-4)11-8(2)13-9(3)16-11/h7,10,12,14H,5-6H2,1-4H3
InChIKeyPRRHNIMJOZWBQK-UHFFFAOYSA-N
XLogP1.42
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 51.42
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-propan-2-yloxypropan-2-ol
CID 61193911
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
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
N-[2-(2-aminoethoxy)ethyl]-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethanamine
CID 79479475
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 113225536
1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]ethanamine
CID 63752942
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]prop-2-en-1-amine
CID 62141442
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-N-methylacetamide
CID 61193340
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol (CID 63929030) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol is COCC(O)CNC(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol?
The InChIKey is PRRHNIMJOZWBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2S/c1-7(12-5-10(14)6-15-4)11-8(2)13-9(3)16-11/h7,10,12,14H,5-6H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol has a molecular weight of 244.36 g/mol, XLogP of 1.42, 6 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-methoxypropan-2-ol is sourced from PubChem (CID 63929030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).