5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole

C15H17N5S2 — CID 166236985

IUPAC5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
SMILESCC(C)c1ccc(-n2nnnc2SCCc2cncs2)cc1
InChIInChI=1S/C15H17N5S2/c1-11(2)12-3-5-13(6-4-12)20-15(17-18-19-20)21-8-7-14-9-16-10-22-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCPEUXSZHCVDVGA-UHFFFAOYSA-N
MW331.47 g/mol
LogP3.58
Rot. Bonds6

About 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole

5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole (PubChem CID 166236985) has the molecular formula C15H17N5S2 and a molecular weight of 331.47 g/mol. Its IUPAC name is 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole.

Molecular Properties

Compound Name5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
PubChem CID166236985
Molecular FormulaC15H17N5S2
Molecular Weight331.47 g/mol
Exact Mass331.09
IUPAC Name5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
SMILESCC(C)c1ccc(-n2nnnc2SCCc2cncs2)cc1
InChIInChI=1S/C15H17N5S2/c1-11(2)12-3-5-13(6-4-12)20-15(17-18-19-20)21-8-7-14-9-16-10-22-14/h3-6,9-11H,7-8H2,1-2H3
InChIKeyCPEUXSZHCVDVGA-UHFFFAOYSA-N
XLogP3.58
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole 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

4-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylbutan-1-ol
CID 110931394
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 7561500
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 24523762
2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9360103
N-(3-methylbutan-2-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 18776157
2-[1-(4-methylphenyl)tetrazol-5-yl]sulfanyl-1-(4-propan-2-ylphenyl)ethanone
CID 9407888
4-[[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-thiophen-2-yl-1,3-oxazole
CID 8804352
N-(cyclopentylcarbamoyl)-3-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylpropanamide
CID 24667835
N-[2-[5-(1,3-thiazol-5-ylmethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 112644510
1-(4-fluorophenyl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethanone
CID 7561394
2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 7561504
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-propan-2-ylphenyl)tetrazole
CID 7561389

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The IUPAC name of 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole (CID 166236985) is 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole.
What is the SMILES notation for 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The canonical SMILES for 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole is CC(C)c1ccc(-n2nnnc2SCCc2cncs2)cc1.
What is the InChIKey of 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
The InChIKey is CPEUXSZHCVDVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S2/c1-11(2)12-3-5-13(6-4-12)20-15(17-18-19-20)21-8-7-14-9-16-10-22-14/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole?
5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole has a molecular weight of 331.47 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole is sourced from PubChem (CID 166236985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).