N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide

C6H7N3OS3 — CID 130638983

IUPACN-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide
SMILESO=C(Nc1csnn1)C1SCCS1
InChIInChI=1S/C6H7N3OS3/c10-5(6-11-1-2-12-6)7-4-3-13-9-8-4/h3,6H,1-2H2,(H,7,10)
InChIKeyPDXPTGVZXKEGDU-UHFFFAOYSA-N
MW233.34 g/mol
LogP1.28
Rot. Bonds2

About N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide

N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide (PubChem CID 130638983) has the molecular formula C6H7N3OS3 and a molecular weight of 233.34 g/mol. Its IUPAC name is N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide.

Molecular Properties

Compound NameN-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide
PubChem CID130638983
Molecular FormulaC6H7N3OS3
Molecular Weight233.34 g/mol
Exact Mass232.98
IUPAC NameN-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide
SMILESO=C(Nc1csnn1)C1SCCS1
InChIInChI=1S/C6H7N3OS3/c10-5(6-11-1-2-12-6)7-4-3-13-9-8-4/h3,6H,1-2H2,(H,7,10)
InChIKeyPDXPTGVZXKEGDU-UHFFFAOYSA-N
XLogP1.28
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide?
The IUPAC name of N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide (CID 130638983) is N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide.
What is the SMILES notation for N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide?
The canonical SMILES for N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide is O=C(Nc1csnn1)C1SCCS1.
What is the InChIKey of N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide?
The InChIKey is PDXPTGVZXKEGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3OS3/c10-5(6-11-1-2-12-6)7-4-3-13-9-8-4/h3,6H,1-2H2,(H,7,10).
What are the key properties of N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide?
N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide has a molecular weight of 233.34 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiadiazol-4-yl)-1,3-dithiolane-2-carboxamide is sourced from PubChem (CID 130638983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).