(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

C8H8ClN3OS — CID 130646328

IUPAC(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccsc1Cl
InChIInChI=1S/C8H8ClN3OS/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3
InChIKeySVULGTKRZCPFAB-UHFFFAOYSA-N
MW229.69 g/mol
LogP1.61
Rot. Bonds2

About (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol

(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 130646328) has the molecular formula C8H8ClN3OS and a molecular weight of 229.69 g/mol. Its IUPAC name is (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID130646328
Molecular FormulaC8H8ClN3OS
Molecular Weight229.69 g/mol
Exact Mass229.01
IUPAC Name(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccsc1Cl
InChIInChI=1S/C8H8ClN3OS/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3
InChIKeySVULGTKRZCPFAB-UHFFFAOYSA-N
XLogP1.61
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(2-Thiophen-3-ylethyl)triazol-4-yl]ethanol
CID 81444853
(3-Chloro-4-methylthiophen-2-yl)-(3-methyltriazol-4-yl)methanol
CID 103408272
(5-Bromothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 105126972
1-(3-Propyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105127149
(5-Bromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 105128677
1-(3-Methyltriazol-4-yl)-2-thiophen-3-ylethanol
CID 105128790
(5-Bromo-3-methyltriazol-4-yl)-thiophen-3-ylmethanol
CID 106461139
2-(1-Methyltriazol-4-yl)-1-thiophen-3-ylethanol
CID 107045842
1-(5-Iodothiophen-3-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065610
(2,5-Dichlorothiophen-3-yl)-(3-propyltriazol-4-yl)methanol
CID 107969884
(2,5-Dibromothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969905
(2,5-Dichlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol
CID 107969906

Frequently Asked Questions

What is the IUPAC name of (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol (CID 130646328) is (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1ccsc1Cl.
What is the InChIKey of (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is SVULGTKRZCPFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3OS/c1-12-6(4-10-11-12)7(13)5-2-3-14-8(5)9/h2-4,7,13H,1H3.
What are the key properties of (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol?
(2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 229.69 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorothiophen-3-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 130646328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).