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

C14H16N4OS2 — CID 119757430

IUPAC3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Sc3nncs3)cc2)C1
InChIInChI=1S/C14H16N4OS2/c15-10-2-1-9(7-10)13(19)17-11-3-5-12(6-4-11)21-14-18-16-8-20-14/h3-6,8-10H,1-2,7,15H2,(H,17,19)
InChIKeyDCEIUAMPHIAVEN-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.76
Rot. Bonds4

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

3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 119757430) has the molecular formula C14H16N4OS2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
PubChem CID119757430
Molecular FormulaC14H16N4OS2
Molecular Weight320.44 g/mol
Exact Mass320.08
IUPAC Name3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CCC(C(=O)Nc2ccc(Sc3nncs3)cc2)C1
InChIInChI=1S/C14H16N4OS2/c15-10-2-1-9(7-10)13(19)17-11-3-5-12(6-4-11)21-14-18-16-8-20-14/h3-6,8-10H,1-2,7,15H2,(H,17,19)
InChIKeyDCEIUAMPHIAVEN-UHFFFAOYSA-N
XLogP2.76
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.76
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
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 119308416
(2S,5R)-5-(aminomethyl)-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]oxolane-2-carboxamide
CID 120790530
N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 60549609
3-amino-N-(4-chlorophenyl)cyclopentane-1-carboxamide
CID 66031270
3-amino-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119698990
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946
3-amino-N-thiophen-3-ylcyclopentane-1-carboxamide
CID 66350210
3-amino-N-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670664
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide
CID 119700137
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119711689
3-amino-N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119700136

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide (CID 119757430) is 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide is NC1CCC(C(=O)Nc2ccc(Sc3nncs3)cc2)C1.
What is the InChIKey of 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is DCEIUAMPHIAVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS2/c15-10-2-1-9(7-10)13(19)17-11-3-5-12(6-4-11)21-14-18-16-8-20-14/h3-6,8-10H,1-2,7,15H2,(H,17,19).
What are the key properties of 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide?
3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119757430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).