1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide

C10H16N4OS2 — CID 79654481

IUPAC1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C10H16N4OS2/c1-6-13-14-9(16-6)17-7-3-4-10(5-7,12-2)8(11)15/h7,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyRBEHGDJEOSRVRI-UHFFFAOYSA-N
MW272.40 g/mol
LogP0.93
Rot. Bonds4

About 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide

1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide (PubChem CID 79654481) has the molecular formula C10H16N4OS2 and a molecular weight of 272.40 g/mol. Its IUPAC name is 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
PubChem CID79654481
Molecular FormulaC10H16N4OS2
Molecular Weight272.40 g/mol
Exact Mass272.08
IUPAC Name1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(Sc2nnc(C)s2)C1
InChIInChI=1S/C10H16N4OS2/c1-6-13-14-9(16-6)17-7-3-4-10(5-7,12-2)8(11)15/h7,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyRBEHGDJEOSRVRI-UHFFFAOYSA-N
XLogP0.93
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
1-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79635859
[1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640287
1-(methylamino)-3-pyridin-2-ylsulfanylcyclopentane-1-carboxamide
CID 79654317
2-cyclopropylsulfanyl-5-methyl-1,3,4-thiadiazole
CID 127014892
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carboxamide
CID 79635303
[1-amino-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexyl]methanol
CID 79640365
3-[(3-bromo-2-pyridinyl)sulfanyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79656899
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709
[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 79644289

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide (CID 79654481) is 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(Sc2nnc(C)s2)C1.
What is the InChIKey of 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The InChIKey is RBEHGDJEOSRVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS2/c1-6-13-14-9(16-6)17-7-3-4-10(5-7,12-2)8(11)15/h7,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide has a molecular weight of 272.40 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 79654481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).