2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol

C7H12N2OS — CID 130917847

IUPAC2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
SMILESCN(C)CC(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyQRKSMPJICVWSEV-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.74
Rot. Bonds3

About 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol

2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol (PubChem CID 130917847) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
PubChem CID130917847
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol
SMILESCN(C)CC(O)c1ccns1
InChIInChI=1S/C7H12N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4,6,10H,5H2,1-2H3
InChIKeyQRKSMPJICVWSEV-UHFFFAOYSA-N
XLogP0.74
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913778
1-(Isothiazol-5-yl)ethan-1-ol
CID 119029079
1-Tert-butyl-3-(1,2-thiazol-5-yl)azetidin-3-ol
CID 164764062
(1S)-1-(1,2-thiazol-5-yl)ethan-1-ol
CID 95913777
2-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 130840879
1-Methyl-3-(1,2-thiazol-5-yl)pyrrolidin-3-ol
CID 130952205
3-Amino-2-methyl-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131001966
2-(Methylamino)-1-(1,2-thiazol-5-yl)ethanol
CID 131036683
3-Amino-1-(1,2-thiazol-5-yl)propan-1-ol
CID 131148747
3-Methyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 131150994
2,2-Dimethyl-1-(1,2-thiazol-5-yl)butan-1-ol
CID 131172123
(2r)-2-Amino-1-(1,2-thiazol-5-yl)butan-1-ol
CID 164661969

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol?
The IUPAC name of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol (CID 130917847) is 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol?
The canonical SMILES for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol is CN(C)CC(O)c1ccns1.
What is the InChIKey of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol?
The InChIKey is QRKSMPJICVWSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-9(2)5-6(10)7-3-4-8-11-7/h3-4,6,10H,5H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol?
2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol has a molecular weight of 172.25 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(1,2-thiazol-5-yl)ethanol is sourced from PubChem (CID 130917847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).