2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide

C7H8N4OS — CID 130635336

IUPAC2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1csnn1
InChIInChI=1S/C7H8N4OS/c1-7(2,4-8)6(12)9-5-3-13-11-10-5/h3H,1-2H3,(H,9,12)
InChIKeyPAXGHQGIQLDHIC-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.03
Rot. Bonds2

About 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide

2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide (PubChem CID 130635336) has the molecular formula C7H8N4OS and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide.

Molecular Properties

Compound Name2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide
PubChem CID130635336
Molecular FormulaC7H8N4OS
Molecular Weight196.24 g/mol
Exact Mass196.04
IUPAC Name2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide
SMILESCC(C)(C#N)C(=O)Nc1csnn1
InChIInChI=1S/C7H8N4OS/c1-7(2,4-8)6(12)9-5-3-13-11-10-5/h3H,1-2H3,(H,9,12)
InChIKeyPAXGHQGIQLDHIC-UHFFFAOYSA-N
XLogP1.03
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide?
The IUPAC name of 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide (CID 130635336) is 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide.
What is the SMILES notation for 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide?
The canonical SMILES for 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide is CC(C)(C#N)C(=O)Nc1csnn1.
What is the InChIKey of 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide?
The InChIKey is PAXGHQGIQLDHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-7(2,4-8)6(12)9-5-3-13-11-10-5/h3H,1-2H3,(H,9,12).
What are the key properties of 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide?
2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide has a molecular weight of 196.24 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-methyl-N-(thiadiazol-4-yl)propanamide is sourced from PubChem (CID 130635336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).