1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol

C9H12N4OS — CID 107045764

IUPAC1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1nnc(CC(C)(O)c2cccs2)n1
InChIInChI=1S/C9H12N4OS/c1-9(14,7-4-3-5-15-7)6-8-10-12-13(2)11-8/h3-5,14H,6H2,1-2H3
InChIKeyHLGUYRVVUNUJSB-UHFFFAOYSA-N
MW224.29 g/mol
LogP0.72
Rot. Bonds3

About 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol

1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol (PubChem CID 107045764) has the molecular formula C9H12N4OS and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol
PubChem CID107045764
Molecular FormulaC9H12N4OS
Molecular Weight224.29 g/mol
Exact Mass224.07
IUPAC Name1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol
SMILESCn1nnc(CC(C)(O)c2cccs2)n1
InChIInChI=1S/C9H12N4OS/c1-9(14,7-4-3-5-15-7)6-8-10-12-13(2)11-8/h3-5,14H,6H2,1-2H3
InChIKeyHLGUYRVVUNUJSB-UHFFFAOYSA-N
XLogP0.72
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol 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-methylpyrazol-4-yl)-2-thiophen-2-ylpropan-2-ol
CID 63220271
1-(4-fluorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 63220221
N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 107042155
N-[(2R)-2-hydroxy-2-thiophen-2-ylpropyl]-1-methyltriazole-4-carboxamide
CID 99983177
1-(3-fluorophenyl)-2-methyl-3-(2-methyltetrazol-5-yl)propan-2-ol
CID 107046487
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
1,1-diethyl-2-(2-hydroxy-2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111823890
3-hydroxy-3-methyl-4-(2-methyltetrazol-5-yl)butanal
CID 107046138
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 120971501
5-[3-chloro-2-(chloromethyl)-2-methylpropyl]-2-methyltetrazole
CID 107058457
1-(2,4-dichlorophenyl)-2-thiophen-2-ylpropan-2-ol
CID 65145566
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylethanol
CID 127004646

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol?
The IUPAC name of 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol (CID 107045764) is 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol.
What is the SMILES notation for 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol?
The canonical SMILES for 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol is Cn1nnc(CC(C)(O)c2cccs2)n1.
What is the InChIKey of 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol?
The InChIKey is HLGUYRVVUNUJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4OS/c1-9(14,7-4-3-5-15-7)6-8-10-12-13(2)11-8/h3-5,14H,6H2,1-2H3.
What are the key properties of 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol?
1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol has a molecular weight of 224.29 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyltetrazol-5-yl)-2-thiophen-2-ylpropan-2-ol is sourced from PubChem (CID 107045764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).