[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol

C9H9NOS2 — CID 2776470

IUPAC[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol
SMILESCc1nc(-c2ccc(CO)s2)cs1
InChIInChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-3,5,11H,4H2,1H3
InChIKeyCQCKNGVVCKWDLF-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.67
Rot. Bonds2

About [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol

[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol (PubChem CID 2776470) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol
PubChem CID2776470
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol
SMILESCc1nc(-c2ccc(CO)s2)cs1
InChIInChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-3,5,11H,4H2,1H3
InChIKeyCQCKNGVVCKWDLF-UHFFFAOYSA-N
XLogP2.67
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol?
The IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol (CID 2776470) is [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol.
What is the SMILES notation for [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol?
The canonical SMILES for [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol is Cc1nc(-c2ccc(CO)s2)cs1.
What is the InChIKey of [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol?
The InChIKey is CQCKNGVVCKWDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-6-10-8(5-12-6)9-3-2-7(4-11)13-9/h2-3,5,11H,4H2,1H3.
What are the key properties of [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol?
[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol has a molecular weight of 211.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]methanol is sourced from PubChem (CID 2776470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).