5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole

C8H11ClN6S2 — CID 47126462

IUPAC5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
SMILESCC(C)Cn1nnnc1SCc1nnsc1Cl
InChIInChI=1S/C8H11ClN6S2/c1-5(2)3-15-8(11-12-13-15)16-4-6-7(9)17-14-10-6/h5H,3-4H2,1-2H3
InChIKeyTUZVSMCEWHIZRS-UHFFFAOYSA-N
MW290.81 g/mol
LogP2.13
Rot. Bonds5

About 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole

5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole (PubChem CID 47126462) has the molecular formula C8H11ClN6S2 and a molecular weight of 290.81 g/mol. Its IUPAC name is 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole.

Molecular Properties

Compound Name5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
PubChem CID47126462
Molecular FormulaC8H11ClN6S2
Molecular Weight290.81 g/mol
Exact Mass290.02
IUPAC Name5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole
SMILESCC(C)Cn1nnnc1SCc1nnsc1Cl
InChIInChI=1S/C8H11ClN6S2/c1-5(2)3-15-8(11-12-13-15)16-4-6-7(9)17-14-10-6/h5H,3-4H2,1-2H3
InChIKeyTUZVSMCEWHIZRS-UHFFFAOYSA-N
XLogP2.13
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.81
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The IUPAC name of 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole (CID 47126462) is 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole.
What is the SMILES notation for 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The canonical SMILES for 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole is CC(C)Cn1nnnc1SCc1nnsc1Cl.
What is the InChIKey of 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
The InChIKey is TUZVSMCEWHIZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN6S2/c1-5(2)3-15-8(11-12-13-15)16-4-6-7(9)17-14-10-6/h5H,3-4H2,1-2H3.
What are the key properties of 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole?
5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole has a molecular weight of 290.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(2-methylpropyl)tetrazol-5-yl]sulfanylmethyl]thiadiazole is sourced from PubChem (CID 47126462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).