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

C7H6N4OS — CID 164646393

IUPAC1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2csnn2)CC1
InChIInChI=1S/C7H6N4OS/c8-4-7(1-2-7)6(12)9-5-3-13-11-10-5/h3H,1-2H2,(H,9,12)
InChIKeyRPSCQTMCGGWOHL-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.78
Rot. Bonds2

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

1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 164646393) has the molecular formula C7H6N4OS and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
PubChem CID164646393
Molecular FormulaC7H6N4OS
Molecular Weight194.22 g/mol
Exact Mass194.03
IUPAC Name1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide
SMILESN#CC1(C(=O)Nc2csnn2)CC1
InChIInChI=1S/C7H6N4OS/c8-4-7(1-2-7)6(12)9-5-3-13-11-10-5/h3H,1-2H2,(H,9,12)
InChIKeyRPSCQTMCGGWOHL-UHFFFAOYSA-N
XLogP0.78
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide (CID 164646393) is 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide is N#CC1(C(=O)Nc2csnn2)CC1.
What is the InChIKey of 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is RPSCQTMCGGWOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4OS/c8-4-7(1-2-7)6(12)9-5-3-13-11-10-5/h3H,1-2H2,(H,9,12).
What are the key properties of 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide?
1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 194.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(thiadiazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164646393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).