2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole

C12H12N6S3 — CID 2536033

IUPAC2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
SMILESCCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWHUUOISPINJTGK-UHFFFAOYSA-N
MW336.47 g/mol
LogP3.17
Rot. Bonds6

About 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole

2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole (PubChem CID 2536033) has the molecular formula C12H12N6S3 and a molecular weight of 336.47 g/mol. Its IUPAC name is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
PubChem CID2536033
Molecular FormulaC12H12N6S3
Molecular Weight336.47 g/mol
Exact Mass336.03
IUPAC Name2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole
SMILESCCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
InChIInChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyWHUUOISPINJTGK-UHFFFAOYSA-N
XLogP3.17
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole 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

5-heptylsulfanyl-1-phenyltetrazole
CID 141458526
dimethyl-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]azanium
CID 4064141
4-methyl-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazole
CID 18708988
2-methyl-4-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazole
CID 972372
1-(4-methylphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 9110390
1-(2-methylpropyl)-5-(1-phenyltetrazol-5-yl)sulfanyltetrazole
CID 17449592
[4-chloro-2-(1-phenyltetrazol-5-yl)sulfanyl-1,3-thiazol-5-yl]methanol
CID 80693032
2-[3-(1-phenyltetrazol-5-yl)sulfanylpropylsulfanyl]-1,3-benzothiazole
CID 2328314
N-(3-methoxyphenyl)-5-(1-phenyltetrazol-5-yl)sulfanyl-1,3,4-thiadiazol-2-amine
CID 17466081
N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]pentan-1-amine
CID 62577878
4-(1-phenyltetrazol-5-yl)sulfanyl-N-propylbutan-1-amine
CID 62579162
ethyl 2-amino-4-(1-phenyltetrazol-5-yl)sulfanylbutanoate
CID 63035562

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole?
The IUPAC name of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole (CID 2536033) is 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole?
The canonical SMILES for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole is CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1.
What is the InChIKey of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole?
The InChIKey is WHUUOISPINJTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S3/c1-2-8-19-11-14-15-12(21-11)20-10-13-16-17-18(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole?
2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole has a molecular weight of 336.47 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenyltetrazol-5-yl)sulfanyl-5-propylsulfanyl-1,3,4-thiadiazole is sourced from PubChem (CID 2536033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).