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

C9H9NOS2 — CID 131033823

IUPAC(4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESCc1cscc1C(O)c1ccsn1
InChIInChI=1S/C9H9NOS2/c1-6-4-12-5-7(6)9(11)8-2-3-13-10-8/h2-5,9,11H,1H3
InChIKeyMPMNHLOBVQYBRI-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.59
Rot. Bonds2

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

(4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol (PubChem CID 131033823) has the molecular formula C9H9NOS2 and a molecular weight of 211.31 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
PubChem CID131033823
Molecular FormulaC9H9NOS2
Molecular Weight211.31 g/mol
Exact Mass211.01
IUPAC Name(4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
SMILESCc1cscc1C(O)c1ccsn1
InChIInChI=1S/C9H9NOS2/c1-6-4-12-5-7(6)9(11)8-2-3-13-10-8/h2-5,9,11H,1H3
InChIKeyMPMNHLOBVQYBRI-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-Thiazol-3-yl)-1-thiophen-3-ylethanol
CID 127003876
1-(3-Methyl-1,2-thiazol-5-yl)-1-thiophen-3-ylethanol
CID 127003878
(3-Methyl-1,2-thiazol-5-yl)-(2-methylthiophen-3-yl)methanol
CID 130604946
(2-Chlorothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130606658
(5-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130625390
(2-Methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 130631086
1,2-Thiazol-3-yl(thiophen-2-yl)methanol
CID 130658815
1,2-Thiazol-3-yl(thiolan-3-yl)methanol
CID 130694348
(3-Ethylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 130736495
1-(3-Methylthiophen-2-yl)-1-(1,2-thiazol-3-yl)ethanol
CID 130965084
(5-Iodothiophen-3-yl)-(1,2-thiazol-3-yl)methanol
CID 131122860
(5-Bromo-4-methylthiophen-2-yl)-(1,2-thiazol-3-yl)methanol
CID 131140690

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The IUPAC name of (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol (CID 131033823) is (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol.
What is the SMILES notation for (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The canonical SMILES for (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol is Cc1cscc1C(O)c1ccsn1.
What is the InChIKey of (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
The InChIKey is MPMNHLOBVQYBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS2/c1-6-4-12-5-7(6)9(11)8-2-3-13-10-8/h2-5,9,11H,1H3.
What are the key properties of (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol?
(4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol has a molecular weight of 211.31 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(1,2-thiazol-3-yl)methanol is sourced from PubChem (CID 131033823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).