N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide

C13H14N4OS2 — CID 119308416

IUPACN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Sc2nncs2)cc1)C1CCCN1
InChIInChI=1S/C13H14N4OS2/c18-12(11-2-1-7-14-11)16-9-3-5-10(6-4-9)20-13-17-15-8-19-13/h3-6,8,11,14H,1-2,7H2,(H,16,18)
InChIKeyVPNVJUKNRAYTAB-UHFFFAOYSA-N
MW306.42 g/mol
LogP2.38
Rot. Bonds4

About N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide

N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 119308416) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
PubChem CID119308416
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC NameN-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(Sc2nncs2)cc1)C1CCCN1
InChIInChI=1S/C13H14N4OS2/c18-12(11-2-1-7-14-11)16-9-3-5-10(6-4-9)20-13-17-15-8-19-13/h3-6,8,11,14H,1-2,7H2,(H,16,18)
InChIKeyVPNVJUKNRAYTAB-UHFFFAOYSA-N
XLogP2.38
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

cis-(1R,2S)-2-methyl-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopropane-1-carboxamide
CID 94210735
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
CID 119757430
(2R)-N-[4-(carbamoylamino)phenyl]pyrrolidine-2-carboxamide
CID 103794450
N-(4-cyclopentylsulfanylphenyl)pyrrolidine-2-carboxamide
CID 43426858
N-(4-aminophenyl)pyrrolidine-2-carboxamide
CID 22034800
(2S)-N-(4-acetamidophenyl)pyrrolidine-2-carboxamide
CID 22691413
(2R)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 28881297
N-pyridin-4-ylpyrrolidine-2-carboxamide
CID 18072890
(2R)-N-(4-chlorophenyl)pyrrolidine-2-carboxamide
CID 7183288
(2S)-N-[4-(1H-1,2,4-triazol-5-ylsulfanyl)phenyl]piperidine-2-carboxamide
CID 104913128
methyl N-[4-(pyrrolidine-2-carbonylamino)phenyl]carbamate
CID 43712644
N-(4-tert-butylsulfanylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119315492

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide (CID 119308416) is N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide is O=C(Nc1ccc(Sc2nncs2)cc1)C1CCCN1.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is VPNVJUKNRAYTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c18-12(11-2-1-7-14-11)16-9-3-5-10(6-4-9)20-13-17-15-8-19-13/h3-6,8,11,14H,1-2,7H2,(H,16,18).
What are the key properties of N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide?
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 306.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119308416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).