1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol

C10H19N3OS — CID 115718069

IUPAC1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1cncs1
InChIInChI=1S/C10H19N3OS/c1-8(10-5-11-7-15-10)12-4-9(14)6-13(2)3/h5,7-9,12,14H,4,6H2,1-3H3
InChIKeyGHFCQMUIRYENSE-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.72
Rot. Bonds6

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

1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (PubChem CID 115718069) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
PubChem CID115718069
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)CN(C)C)c1cncs1
InChIInChI=1S/C10H19N3OS/c1-8(10-5-11-7-15-10)12-4-9(14)6-13(2)3/h5,7-9,12,14H,4,6H2,1-3H3
InChIKeyGHFCQMUIRYENSE-UHFFFAOYSA-N
XLogP0.72
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3,3-dimethyl-2-(1,3-thiazol-5-ylmethylamino)butan-1-ol
CID 99841946
[5-[1-(4,4-Difluoropiperidin-1-yl)-2-(methylamino)ethyl]-1,3-thiazol-2-yl]methanol
CID 134404920
2-(2,2-Difluoroethylamino)-2-(1,3-thiazol-5-yl)ethanol
CID 169181655
N-[2-fluoro-1-(1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 83817805
N-[2-(2,2-difluoroethoxy)ethyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 103082659
N-[1-[2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 103476050
3-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103731562
3-[(2-Ethyl-1,3-thiazol-5-yl)methylamino]-1,1-difluoropropan-2-ol
CID 103741092
1,1-Difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol
CID 103787929
1,1-Difluoro-3-(1,3-thiazol-5-ylmethylamino)propan-2-ol
CID 103793274
2-(1,3-Thiazol-5-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 104078114
2,2-Difluoro-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-ol
CID 104860462

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol (CID 115718069) is 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is CC(NCC(O)CN(C)C)c1cncs1.
What is the InChIKey of 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
The InChIKey is GHFCQMUIRYENSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(10-5-11-7-15-10)12-4-9(14)6-13(2)3/h5,7-9,12,14H,4,6H2,1-3H3.
What are the key properties of 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol?
1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol has a molecular weight of 229.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 115718069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).