1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide

C8H11ClN4OS — CID 43407864

IUPAC1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nnsc1Cl
InChIInChI=1S/C8H11ClN4OS/c9-7-5(11-12-15-7)4-13-3-1-2-6(13)8(10)14/h6H,1-4H2,(H2,10,14)
InChIKeyKYPCPTRFYBKZKS-UHFFFAOYSA-N
MW246.72 g/mol
LogP0.64
Rot. Bonds3

About 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide

1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 43407864) has the molecular formula C8H11ClN4OS and a molecular weight of 246.72 g/mol. Its IUPAC name is 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID43407864
Molecular FormulaC8H11ClN4OS
Molecular Weight246.72 g/mol
Exact Mass246.03
IUPAC Name1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nnsc1Cl
InChIInChI=1S/C8H11ClN4OS/c9-7-5(11-12-15-7)4-13-3-1-2-6(13)8(10)14/h6H,1-4H2,(H2,10,14)
InChIKeyKYPCPTRFYBKZKS-UHFFFAOYSA-N
XLogP0.64
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide (CID 43407864) is 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1nnsc1Cl.
What is the InChIKey of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is KYPCPTRFYBKZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4OS/c9-7-5(11-12-15-7)4-13-3-1-2-6(13)8(10)14/h6H,1-4H2,(H2,10,14).
What are the key properties of 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide?
1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 246.72 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chlorothiadiazol-4-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 43407864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).