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

C11H18N4OS3 — CID 115383582

IUPAC1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C11H18N4OS3/c1-13-11(8(12)16)5-3-4-7(6-11)18-10-15-14-9(17-2)19-10/h7,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyLCPRIRPKRCKQGQ-UHFFFAOYSA-N
MW318.49 g/mol
LogP1.74
Rot. Bonds5

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

1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (PubChem CID 115383582) has the molecular formula C11H18N4OS3 and a molecular weight of 318.49 g/mol. Its IUPAC name is 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
PubChem CID115383582
Molecular FormulaC11H18N4OS3
Molecular Weight318.49 g/mol
Exact Mass318.06
IUPAC Name1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C11H18N4OS3/c1-13-11(8(12)16)5-3-4-7(6-11)18-10-15-14-9(17-2)19-10/h7,13H,3-6H2,1-2H3,(H2,12,16)
InChIKeyLCPRIRPKRCKQGQ-UHFFFAOYSA-N
XLogP1.74
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.49
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 79654481
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
1-(methylamino)-3-methylsulfanylcyclohexane-1-carboxamide
CID 79634172
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028
1-(methylamino)-3-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclohexane-1-carboxamide
CID 79635303
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
1-(methylamino)-3-pyrazin-2-ylsulfanylcyclohexane-1-carboxamide
CID 79635887
1-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79635859
3-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-1-(methylamino)cyclohexane-1-carboxamide
CID 102925709
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (CID 115383582) is 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is CNC1(C(N)=O)CCCC(Sc2nnc(SC)s2)C1.
What is the InChIKey of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The InChIKey is LCPRIRPKRCKQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS3/c1-13-11(8(12)16)5-3-4-7(6-11)18-10-15-14-9(17-2)19-10/h7,13H,3-6H2,1-2H3,(H2,12,16).
What are the key properties of 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide has a molecular weight of 318.49 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 115383582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).