1,3-thiazol-4-yl(thiophen-2-yl)methanol

C8H7NOS2 — CID 78923935

IUPAC1,3-thiazol-4-yl(thiophen-2-yl)methanol
SMILESOC(c1cscn1)c1cccs1
InChIInChI=1S/C8H7NOS2/c10-8(6-4-11-5-9-6)7-2-1-3-12-7/h1-5,8,10H
InChIKeyKWWQYTIDADZNAP-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.29
Rot. Bonds2

About 1,3-thiazol-4-yl(thiophen-2-yl)methanol

1,3-thiazol-4-yl(thiophen-2-yl)methanol (PubChem CID 78923935) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,3-thiazol-4-yl(thiophen-2-yl)methanol.

Molecular Properties

Compound Name1,3-thiazol-4-yl(thiophen-2-yl)methanol
PubChem CID78923935
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name1,3-thiazol-4-yl(thiophen-2-yl)methanol
SMILESOC(c1cscn1)c1cccs1
InChIInChI=1S/C8H7NOS2/c10-8(6-4-11-5-9-6)7-2-1-3-12-7/h1-5,8,10H
InChIKeyKWWQYTIDADZNAP-UHFFFAOYSA-N
XLogP2.29
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl(1,3-thiazol-4-yl)methanol
CID 78923958
(1R)-N-[1-(1,3-thiazol-4-yl)ethyl]-1-thiophen-2-ylethanamine
CID 104865977
1,3-thiazol-4-ylmethanediol
CID 59870088
3-[1-(1,3-thiazol-4-yl)ethylamino]-3-thiophen-2-ylpropanoic acid
CID 113486874
(3-phenyltriazol-4-yl)-(1,3-thiazol-4-yl)methanol
CID 114685473
[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]-thiophen-2-ylmethanol
CID 11197598
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
(2-ethylfuran-3-yl)-(1,3-thiazol-4-yl)methanol
CID 131020969
1,3-thiazol-4-yl(1H-1,2,4-triazol-5-yl)methanol
CID 130729566
(3-chloropyrazin-2-yl)-thiophen-2-ylmethanol
CID 119085249
quinolin-7-yl(1,3-thiazol-4-yl)methanol
CID 81220836
2-amino-N-methyl-N-(1,3-thiazol-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 115287084

Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-4-yl(thiophen-2-yl)methanol?
The IUPAC name of 1,3-thiazol-4-yl(thiophen-2-yl)methanol (CID 78923935) is 1,3-thiazol-4-yl(thiophen-2-yl)methanol.
What is the SMILES notation for 1,3-thiazol-4-yl(thiophen-2-yl)methanol?
The canonical SMILES for 1,3-thiazol-4-yl(thiophen-2-yl)methanol is OC(c1cscn1)c1cccs1.
What is the InChIKey of 1,3-thiazol-4-yl(thiophen-2-yl)methanol?
The InChIKey is KWWQYTIDADZNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c10-8(6-4-11-5-9-6)7-2-1-3-12-7/h1-5,8,10H.
What are the key properties of 1,3-thiazol-4-yl(thiophen-2-yl)methanol?
1,3-thiazol-4-yl(thiophen-2-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-4-yl(thiophen-2-yl)methanol is sourced from PubChem (CID 78923935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).