2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol

C7H12N2OS — CID 115087647

IUPAC2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(N)c1csc(CCO)n1
InChIInChI=1S/C7H12N2OS/c1-5(8)6-4-11-7(9-6)2-3-10/h4-5,10H,2-3,8H2,1H3
InChIKeyTZRMZPFMAPIDLF-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.70
Rot. Bonds3

About 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol

2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol (PubChem CID 115087647) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
PubChem CID115087647
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol
SMILESCC(N)c1csc(CCO)n1
InChIInChI=1S/C7H12N2OS/c1-5(8)6-4-11-7(9-6)2-3-10/h4-5,10H,2-3,8H2,1H3
InChIKeyTZRMZPFMAPIDLF-UHFFFAOYSA-N
XLogP0.70
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-propan-2-yl-1,3-thiazol-2-yl)butan-1-ol
CID 116968635
(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
CID 51898160
1-[2-(2-methylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64544064
1-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]ethanamine
CID 64543263
1-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]ethanamine
CID 103150135
methyl 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]acetate
CID 115021994
(4-propan-2-yl-1,3-thiazol-2-yl)methanol
CID 10678505
2-(4-methyl-1,3-thiazol-2-yl)ethanol;hydrobromide
CID 154976464
4-(1-aminoethyl)-1,3-thiazol-2-amine
CID 64545491
1-[2-[(3,5-difluorophenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64544468
1-[2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl]ethanamine
CID 64545487
2-amino-1-(2-propyl-1,3-thiazol-4-yl)ethanol
CID 19974126

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol?
The IUPAC name of 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol (CID 115087647) is 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol.
What is the SMILES notation for 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol?
The canonical SMILES for 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol is CC(N)c1csc(CCO)n1.
What is the InChIKey of 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol?
The InChIKey is TZRMZPFMAPIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-5(8)6-4-11-7(9-6)2-3-10/h4-5,10H,2-3,8H2,1H3.
What are the key properties of 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol?
2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol has a molecular weight of 172.25 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminoethyl)-1,3-thiazol-2-yl]ethanol is sourced from PubChem (CID 115087647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).