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

C12H22N2OS — CID 115729166

IUPAC1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C12H22N2OS/c1-5-11(15)6-7-13-8(2)12-9(3)14-10(4)16-12/h8,11,13,15H,5-7H2,1-4H3
InChIKeyXACHTAZFIBZJCZ-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.57
Rot. Bonds6

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

1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol (PubChem CID 115729166) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
PubChem CID115729166
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol
SMILESCCC(O)CCNC(C)c1sc(C)nc1C
InChIInChI=1S/C12H22N2OS/c1-5-11(15)6-7-13-8(2)12-9(3)14-10(4)16-12/h8,11,13,15H,5-7H2,1-4H3
InChIKeyXACHTAZFIBZJCZ-UHFFFAOYSA-N
XLogP2.57
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3-N-ethylbutane-1,3-diamine
CID 55121164
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
2-[[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]methyl]-2-methylbutan-1-ol
CID 81419325
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]decan-1-amine
CID 63492567
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methylbutan-2-ol
CID 115720451
N-[2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl]acetamide
CID 63751578
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]propanamide
CID 61193122
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pentan-3-amine
CID 61193894
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 55241750
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methoxypropan-2-ol
CID 63929030
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]ethyl carbamate
CID 83210951
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
CID 61193911

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol (CID 115729166) is 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol is CCC(O)CCNC(C)c1sc(C)nc1C.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol?
The InChIKey is XACHTAZFIBZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-5-11(15)6-7-13-8(2)12-9(3)14-10(4)16-12/h8,11,13,15H,5-7H2,1-4H3.
What are the key properties of 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol?
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol has a molecular weight of 242.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]pentan-3-ol is sourced from PubChem (CID 115729166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).