2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole

C7H7ClN6S2 — CID 80606343

IUPAC2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESClc1nnc(CSc2nnnn2C2CC2)s1
InChIInChI=1S/C7H7ClN6S2/c8-6-10-9-5(16-6)3-15-7-11-12-13-14(7)4-1-2-4/h4H,1-3H2
InChIKeyADWXTUQFRMIGQJ-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.81
Rot. Bonds4

About 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole

2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole (PubChem CID 80606343) has the molecular formula C7H7ClN6S2 and a molecular weight of 274.76 g/mol. Its IUPAC name is 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole
PubChem CID80606343
Molecular FormulaC7H7ClN6S2
Molecular Weight274.76 g/mol
Exact Mass273.99
IUPAC Name2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole
SMILESClc1nnc(CSc2nnnn2C2CC2)s1
InChIInChI=1S/C7H7ClN6S2/c8-6-10-9-5(16-6)3-15-7-11-12-13-14(7)4-1-2-4/h4H,1-3H2
InChIKeyADWXTUQFRMIGQJ-UHFFFAOYSA-N
XLogP1.81
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole (CID 80606343) is 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole is Clc1nnc(CSc2nnnn2C2CC2)s1.
What is the InChIKey of 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole?
The InChIKey is ADWXTUQFRMIGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN6S2/c8-6-10-9-5(16-6)3-15-7-11-12-13-14(7)4-1-2-4/h4H,1-3H2.
What are the key properties of 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole?
2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole has a molecular weight of 274.76 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-1,3,4-thiadiazole is sourced from PubChem (CID 80606343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).