(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol

C8H7NOS2 — CID 19744568

IUPAC(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol
SMILESOCc1cc(-c2ccsc2)ns1
InChIInChI=1S/C8H7NOS2/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h1-3,5,10H,4H2
InChIKeyDFSJYBPEMGFZIS-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.36
Rot. Bonds2

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

(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol (PubChem CID 19744568) has the molecular formula C8H7NOS2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol.

Molecular Properties

Compound Name(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol
PubChem CID19744568
Molecular FormulaC8H7NOS2
Molecular Weight197.28 g/mol
Exact Mass197.00
IUPAC Name(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol
SMILESOCc1cc(-c2ccsc2)ns1
InChIInChI=1S/C8H7NOS2/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h1-3,5,10H,4H2
InChIKeyDFSJYBPEMGFZIS-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol?
The IUPAC name of (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol (CID 19744568) is (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol.
What is the SMILES notation for (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol?
The canonical SMILES for (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol is OCc1cc(-c2ccsc2)ns1.
What is the InChIKey of (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol?
The InChIKey is DFSJYBPEMGFZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS2/c10-4-7-3-8(9-12-7)6-1-2-11-5-6/h1-3,5,10H,4H2.
What are the key properties of (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol?
(3-thiophen-3-yl-1,2-thiazol-5-yl)methanol has a molecular weight of 197.28 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-thiophen-3-yl-1,2-thiazol-5-yl)methanol is sourced from PubChem (CID 19744568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).