1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide

C11H18N4OS2 — CID 79654622

IUPAC1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2nncs2)C1
InChIInChI=1S/C11H18N4OS2/c1-7(2)14-11(9(12)16)4-3-8(5-11)18-10-15-13-6-17-10/h6-8,14H,3-5H2,1-2H3,(H2,12,16)
InChIKeyKRGKOUZBJZVBQW-UHFFFAOYSA-N
MW286.43 g/mol
LogP1.40
Rot. Bonds5

About 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide

1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide (PubChem CID 79654622) has the molecular formula C11H18N4OS2 and a molecular weight of 286.43 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
PubChem CID79654622
Molecular FormulaC11H18N4OS2
Molecular Weight286.43 g/mol
Exact Mass286.09
IUPAC Name1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(Sc2nncs2)C1
InChIInChI=1S/C11H18N4OS2/c1-7(2)14-11(9(12)16)4-3-8(5-11)18-10-15-13-6-17-10/h6-8,14H,3-5H2,1-2H3,(H2,12,16)
InChIKeyKRGKOUZBJZVBQW-UHFFFAOYSA-N
XLogP1.40
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.43
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide (CID 79654622) is 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(Sc2nncs2)C1.
What is the InChIKey of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide?
The InChIKey is KRGKOUZBJZVBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS2/c1-7(2)14-11(9(12)16)4-3-8(5-11)18-10-15-13-6-17-10/h6-8,14H,3-5H2,1-2H3,(H2,12,16).
What are the key properties of 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide?
1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide has a molecular weight of 286.43 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 79654622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).