2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine

C4H7N5S — CID 140974305

IUPAC2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine
SMILESc1n[nH]c(C2NNCS2)n1
InChIInChI=1S/C4H7N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1,4,7,9H,2H2,(H,5,6,8)
InChIKeyRLDMRIKIAQWECM-UHFFFAOYSA-N
MW157.20 g/mol
LogP-0.40
Rot. Bonds1

About 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine

2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine (PubChem CID 140974305) has the molecular formula C4H7N5S and a molecular weight of 157.20 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine
PubChem CID140974305
Molecular FormulaC4H7N5S
Molecular Weight157.20 g/mol
Exact Mass157.04
IUPAC Name2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine
SMILESc1n[nH]c(C2NNCS2)n1
InChIInChI=1S/C4H7N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1,4,7,9H,2H2,(H,5,6,8)
InChIKeyRLDMRIKIAQWECM-UHFFFAOYSA-N
XLogP-0.40
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.20
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine (CID 140974305) is 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine is c1n[nH]c(C2NNCS2)n1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine?
The InChIKey is RLDMRIKIAQWECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5S/c1-5-3(8-6-1)4-9-7-2-10-4/h1,4,7,9H,2H2,(H,5,6,8).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine?
2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine has a molecular weight of 157.20 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)-1,3,4-thiadiazolidine is sourced from PubChem (CID 140974305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).