1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol

C10H11NOS2 — CID 127003878

IUPAC1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
SMILESCc1cc(C(C)(O)c2ccsc2)sn1
InChIInChI=1S/C10H11NOS2/c1-7-5-9(14-11-7)10(2,12)8-3-4-13-6-8/h3-6,12H,1-2H3
InChIKeyUJINIGIBCKRJKW-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.77
Rot. Bonds2

About 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol

1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol (PubChem CID 127003878) has the molecular formula C10H11NOS2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
PubChem CID127003878
Molecular FormulaC10H11NOS2
Molecular Weight225.34 g/mol
Exact Mass225.03
IUPAC Name1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
SMILESCc1cc(C(C)(O)c2ccsc2)sn1
InChIInChI=1S/C10H11NOS2/c1-7-5-9(14-11-7)10(2,12)8-3-4-13-6-8/h3-6,12H,1-2H3
InChIKeyUJINIGIBCKRJKW-UHFFFAOYSA-N
XLogP2.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-Fluorothiophen-2-yl)-(3-methyl-1,2-thiazol-5-yl)methanol
CID 130653495
(3-Thiophen-3-yl-1,2-thiazol-5-yl)methanol
CID 19744568
3-(3-Methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 126985769
1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 130604946
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
(3-Methyl-1,2-thiazol-5-yl)-(5-methylthiophen-2-yl)methanol
CID 130847439
1-(1,2-Thiazol-5-yl)-1-thiophen-3-ylethanol
CID 130942822
1-(3-Methylthiophen-2-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130965084
(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiolan-2-yl)methanol
CID 131020113
(4-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131033823
5-Methyl-3-(3-methyl-1,2-thiazol-5-yl)thiolan-3-ol
CID 131153936

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol?
The IUPAC name of 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol (CID 127003878) is 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol is Cc1cc(C(C)(O)c2ccsc2)sn1.
What is the InChIKey of 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol?
The InChIKey is UJINIGIBCKRJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS2/c1-7-5-9(14-11-7)10(2,12)8-3-4-13-6-8/h3-6,12H,1-2H3.
What are the key properties of 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol?
1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol has a molecular weight of 225.34 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol is sourced from PubChem (CID 127003878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).