1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide

C7H9N3OS2 — CID 131134616

IUPAC1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2csnn2)CC1
InChIInChI=1S/C7H9N3OS2/c1-12-7(2-3-7)6(11)8-5-4-13-10-9-5/h4H,2-3H2,1H3,(H,8,11)
InChIKeyIDKKCPVENMZQBM-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.37
Rot. Bonds3

About 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide

1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 131134616) has the molecular formula C7H9N3OS2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
PubChem CID131134616
Molecular FormulaC7H9N3OS2
Molecular Weight215.30 g/mol
Exact Mass215.02
IUPAC Name1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
SMILESCSC1(C(=O)Nc2csnn2)CC1
InChIInChI=1S/C7H9N3OS2/c1-12-7(2-3-7)6(11)8-5-4-13-10-9-5/h4H,2-3H2,1H3,(H,8,11)
InChIKeyIDKKCPVENMZQBM-UHFFFAOYSA-N
XLogP1.37
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide (CID 131134616) is 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide is CSC1(C(=O)Nc2csnn2)CC1.
What is the InChIKey of 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is IDKKCPVENMZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS2/c1-12-7(2-3-7)6(11)8-5-4-13-10-9-5/h4H,2-3H2,1H3,(H,8,11).
What are the key properties of 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 215.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfanyl-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131134616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).