5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide

C9H14N4OS — CID 22093058

IUPAC5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide
SMILESCC1CN(c2snnc2C(N)=O)CC1C
InChIInChI=1S/C9H14N4OS/c1-5-3-13(4-6(5)2)9-7(8(10)14)11-12-15-9/h5-6H,3-4H2,1-2H3,(H2,10,14)
InChIKeyKHQYJCGLNVSHJJ-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.73
Rot. Bonds2

About 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide

5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide (PubChem CID 22093058) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide
PubChem CID22093058
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide
SMILESCC1CN(c2snnc2C(N)=O)CC1C
InChIInChI=1S/C9H14N4OS/c1-5-3-13(4-6(5)2)9-7(8(10)14)11-12-15-9/h5-6H,3-4H2,1-2H3,(H2,10,14)
InChIKeyKHQYJCGLNVSHJJ-UHFFFAOYSA-N
XLogP0.73
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide (CID 22093058) is 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide is CC1CN(c2snnc2C(N)=O)CC1C.
What is the InChIKey of 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide?
The InChIKey is KHQYJCGLNVSHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-5-3-13(4-6(5)2)9-7(8(10)14)11-12-15-9/h5-6H,3-4H2,1-2H3,(H2,10,14).
What are the key properties of 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide?
5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylpyrrolidin-1-yl)thiadiazole-4-carboxamide is sourced from PubChem (CID 22093058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).