2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole

C10H13N5OS2 — CID 60560348

IUPAC2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
SMILESCCOc1nnc(CSc2nncn2C2CC2)s1
InChIInChI=1S/C10H13N5OS2/c1-2-16-10-14-12-8(18-10)5-17-9-13-11-6-15(9)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyWGIQEKZXCDOPTB-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.16
Rot. Bonds6

About 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole

2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole (PubChem CID 60560348) has the molecular formula C10H13N5OS2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
PubChem CID60560348
Molecular FormulaC10H13N5OS2
Molecular Weight283.38 g/mol
Exact Mass283.06
IUPAC Name2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole
SMILESCCOc1nnc(CSc2nncn2C2CC2)s1
InChIInChI=1S/C10H13N5OS2/c1-2-16-10-14-12-8(18-10)5-17-9-13-11-6-15(9)7-3-4-7/h6-7H,2-5H2,1H3
InChIKeyWGIQEKZXCDOPTB-UHFFFAOYSA-N
XLogP2.16
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole?
The IUPAC name of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole (CID 60560348) is 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole.
What is the SMILES notation for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole?
The canonical SMILES for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole is CCOc1nnc(CSc2nncn2C2CC2)s1.
What is the InChIKey of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole?
The InChIKey is WGIQEKZXCDOPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS2/c1-2-16-10-14-12-8(18-10)5-17-9-13-11-6-15(9)7-3-4-7/h6-7H,2-5H2,1H3.
What are the key properties of 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole?
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole has a molecular weight of 283.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-ethoxy-1,3,4-thiadiazole is sourced from PubChem (CID 60560348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).