2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

C9H14N6S2 — CID 47115102

IUPAC2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCCCCn1nnnc1CSc1nnc(C)s1
InChIInChI=1S/C9H14N6S2/c1-3-4-5-15-8(11-13-14-15)6-16-9-12-10-7(2)17-9/h3-6H2,1-2H3
InChIKeyWVZSIUZHBVHQTF-UHFFFAOYSA-N
MW270.39 g/mol
LogP1.93
Rot. Bonds6

About 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole

2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (PubChem CID 47115102) has the molecular formula C9H14N6S2 and a molecular weight of 270.39 g/mol. Its IUPAC name is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
PubChem CID47115102
Molecular FormulaC9H14N6S2
Molecular Weight270.39 g/mol
Exact Mass270.07
IUPAC Name2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
SMILESCCCCn1nnnc1CSc1nnc(C)s1
InChIInChI=1S/C9H14N6S2/c1-3-4-5-15-8(11-13-14-15)6-16-9-12-10-7(2)17-9/h3-6H2,1-2H3
InChIKeyWVZSIUZHBVHQTF-UHFFFAOYSA-N
XLogP1.93
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3-benzothiazole
CID 47009351
N-[5-[(1-butyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-N-cyclopropylacetamide
CID 32669779
N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18101373
1-butyl-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]tetrazole
CID 47009469
2-[(1-butyltetrazol-5-yl)methylsulfanyl]ethanol
CID 43417030
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 78911654
1-butyl-5-propyltetrazole
CID 69032145
N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9483794
1-butyl-5-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]tetrazole
CID 134042088
1-[(1-butyltetrazol-5-yl)methylsulfanyl]butan-2-amine
CID 66231533
1-pentyl-5-[(1-pentyltetrazol-5-yl)methyl]tetrazole
CID 67260727

Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole (CID 47115102) is 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is CCCCn1nnnc1CSc1nnc(C)s1.
What is the InChIKey of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is WVZSIUZHBVHQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S2/c1-3-4-5-15-8(11-13-14-15)6-16-9-12-10-7(2)17-9/h3-6H2,1-2H3.
What are the key properties of 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole?
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 270.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 47115102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).