1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol

C14H20N2O3S2 — CID 161084330

IUPAC1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(=O)c1nc(C)c(CCO)s1.Cc1ncsc1CCO
InChIInChI=1S/C8H11NO2S.C6H9NOS/c1-5-7(3-4-10)12-8(9-5)6(2)11;1-5-6(2-3-8)9-4-7-5/h10H,3-4H2,1-2H3;4,8H,2-3H2,1H3
InChIKeyUGHQZEVYJHHRJQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.18
Rot. Bonds5

About 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol

1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol (PubChem CID 161084330) has the molecular formula C14H20N2O3S2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol.

Molecular Properties

Compound Name1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
PubChem CID161084330
Molecular FormulaC14H20N2O3S2
Molecular Weight328.46 g/mol
Exact Mass328.09
IUPAC Name1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol
SMILESCC(=O)c1nc(C)c(CCO)s1.Cc1ncsc1CCO
InChIInChI=1S/C8H11NO2S.C6H9NOS/c1-5-7(3-4-10)12-8(9-5)6(2)11;1-5-6(2-3-8)9-4-7-5/h10H,3-4H2,1-2H3;4,8H,2-3H2,1H3
InChIKeyUGHQZEVYJHHRJQ-UHFFFAOYSA-N
XLogP2.18
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol with MolForge

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Related Compounds

4-methylbenzoic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 175030808
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]acetic acid;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 160669946
CID 66818170
CID 66818170
2-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]acetonitrile
CID 82668899
5-(2-bromoethyl)-4-methyl-1,3-thiazole;hydrobromide
CID 70095117
2-(2-methylpropyl)-1,3-thiazole;2-(4-methyl-1,3-thiazol-5-yl)ethanol
CID 122696460
1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]cyclopropane-1-carboxylic acid
CID 66025958
5-(3-bromopropyl)-4-methyl-1,3-thiazole
CID 71755982
2,2-dimethyl-6-(4-methyl-1,3-thiazol-5-yl)hexan-3-one
CID 79428990
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The IUPAC name of 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol (CID 161084330) is 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol.
What is the SMILES notation for 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The canonical SMILES for 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol is CC(=O)c1nc(C)c(CCO)s1.Cc1ncsc1CCO.
What is the InChIKey of 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
The InChIKey is UGHQZEVYJHHRJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S.C6H9NOS/c1-5-7(3-4-10)12-8(9-5)6(2)11;1-5-6(2-3-8)9-4-7-5/h10H,3-4H2,1-2H3;4,8H,2-3H2,1H3.
What are the key properties of 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol?
1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol has a molecular weight of 328.46 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-2-yl]ethanone;2-(4-methyl-1,3-thiazol-5-yl)ethanol is sourced from PubChem (CID 161084330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).