N-pyrrolidin-3-ylthiadiazole-4-carboxamide

C7H10N4OS — CID 65216060

IUPACN-pyrrolidin-3-ylthiadiazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1csnn1
InChIInChI=1S/C7H10N4OS/c12-7(6-4-13-11-10-6)9-5-1-2-8-3-5/h4-5,8H,1-3H2,(H,9,12)
InChIKeyBEOVQCCPBDTOSA-UHFFFAOYSA-N
MW198.25 g/mol
LogP-0.37
Rot. Bonds2

About N-pyrrolidin-3-ylthiadiazole-4-carboxamide

N-pyrrolidin-3-ylthiadiazole-4-carboxamide (PubChem CID 65216060) has the molecular formula C7H10N4OS and a molecular weight of 198.25 g/mol. Its IUPAC name is N-pyrrolidin-3-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-ylthiadiazole-4-carboxamide
PubChem CID65216060
Molecular FormulaC7H10N4OS
Molecular Weight198.25 g/mol
Exact Mass198.06
IUPAC NameN-pyrrolidin-3-ylthiadiazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1csnn1
InChIInChI=1S/C7H10N4OS/c12-7(6-4-13-11-10-6)9-5-1-2-8-3-5/h4-5,8H,1-3H2,(H,9,12)
InChIKeyBEOVQCCPBDTOSA-UHFFFAOYSA-N
XLogP-0.37
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-ylthiadiazole-4-carboxamide?
The IUPAC name of N-pyrrolidin-3-ylthiadiazole-4-carboxamide (CID 65216060) is N-pyrrolidin-3-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-pyrrolidin-3-ylthiadiazole-4-carboxamide is O=C(NC1CCNC1)c1csnn1.
What is the InChIKey of N-pyrrolidin-3-ylthiadiazole-4-carboxamide?
The InChIKey is BEOVQCCPBDTOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4OS/c12-7(6-4-13-11-10-6)9-5-1-2-8-3-5/h4-5,8H,1-3H2,(H,9,12).
What are the key properties of N-pyrrolidin-3-ylthiadiazole-4-carboxamide?
N-pyrrolidin-3-ylthiadiazole-4-carboxamide has a molecular weight of 198.25 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 65216060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).