N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

C13H14N4OS — CID 47386684

IUPACN-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N1CCCC1
InChIInChI=1S/C13H14N4OS/c18-13(17-7-1-2-8-17)14-11-5-3-10(4-6-11)12-9-19-16-15-12/h3-6,9H,1-2,7-8H2,(H,14,18)
InChIKeyMKNKGKMBBWYEKL-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.83
Rot. Bonds2

About N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide

N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 47386684) has the molecular formula C13H14N4OS and a molecular weight of 274.35 g/mol. Its IUPAC name is N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID47386684
Molecular FormulaC13H14N4OS
Molecular Weight274.35 g/mol
Exact Mass274.09
IUPAC NameN-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2csnn2)cc1)N1CCCC1
InChIInChI=1S/C13H14N4OS/c18-13(17-7-1-2-8-17)14-11-5-3-10(4-6-11)12-9-19-16-15-12/h3-6,9H,1-2,7-8H2,(H,14,18)
InChIKeyMKNKGKMBBWYEKL-UHFFFAOYSA-N
XLogP2.83
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide (CID 47386684) is N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is O=C(Nc1ccc(-c2csnn2)cc1)N1CCCC1.
What is the InChIKey of N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is MKNKGKMBBWYEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS/c18-13(17-7-1-2-8-17)14-11-5-3-10(4-6-11)12-9-19-16-15-12/h3-6,9H,1-2,7-8H2,(H,14,18).
What are the key properties of N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide?
N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 274.35 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(thiadiazol-4-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 47386684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).