1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

C12H15NOS2 — CID 115812072

IUPAC1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(C)c(C)s2)cs1
InChIInChI=1S/C12H15NOS2/c1-7-4-12(16-8(7)2)11(14)5-10-6-15-9(3)13-10/h4,6,11,14H,5H2,1-3H3
InChIKeyUNQFRQGHOKAEBE-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.41
Rot. Bonds3

About 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol

1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (PubChem CID 115812072) has the molecular formula C12H15NOS2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
PubChem CID115812072
Molecular FormulaC12H15NOS2
Molecular Weight253.39 g/mol
Exact Mass253.06
IUPAC Name1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
SMILESCc1nc(CC(O)c2cc(C)c(C)s2)cs1
InChIInChI=1S/C12H15NOS2/c1-7-4-12(16-8(7)2)11(14)5-10-6-15-9(3)13-10/h4,6,11,14H,5H2,1-3H3
InChIKeyUNQFRQGHOKAEBE-UHFFFAOYSA-N
XLogP3.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-fluoro-1-benzothiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115812042
2-(2-methyl-1,3-thiazol-4-yl)-1-(2-methylthiophen-3-yl)ethanol
CID 102831271
1-(5-bromothiophen-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106635
1-(5-chloro-1,3-thiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 107124815
2-(2-methyl-1,3-thiazol-4-yl)-1-(2,3,4,5,6-pentafluorophenyl)ethanol
CID 115811976
1-[4-(difluoromethyl)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 113328508
1-(4-aminophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 106695570
1-(4-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62799150
1-(2-chlorophenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 62798973
1-(2-methylpyrimidin-4-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 115528070
1-(4,5-dimethylthiophen-2-yl)-2-(3-methyl-2-pyridinyl)ethanol
CID 66459897
1-[3-(dimethylamino)phenyl]-2-(2-methyl-1,3-thiazol-4-yl)ethanol
CID 105106644

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The IUPAC name of 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol (CID 115812072) is 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol.
What is the SMILES notation for 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The canonical SMILES for 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is Cc1nc(CC(O)c2cc(C)c(C)s2)cs1.
What is the InChIKey of 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
The InChIKey is UNQFRQGHOKAEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS2/c1-7-4-12(16-8(7)2)11(14)5-10-6-15-9(3)13-10/h4,6,11,14H,5H2,1-3H3.
What are the key properties of 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol?
1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol has a molecular weight of 253.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylthiophen-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanol is sourced from PubChem (CID 115812072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).