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

C10H16N4OS3 — CID 113298762

IUPAC1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCSc1nnc(SC2CCCC(N)(C(N)=O)C2)s1
InChIInChI=1S/C10H16N4OS3/c1-16-8-13-14-9(18-8)17-6-3-2-4-10(12,5-6)7(11)15/h6H,2-5,12H2,1H3,(H2,11,15)
InChIKeyHYHVQXFRYMIOEK-UHFFFAOYSA-N
MW304.47 g/mol
LogP1.48
Rot. Bonds4

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

1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (PubChem CID 113298762) has the molecular formula C10H16N4OS3 and a molecular weight of 304.47 g/mol. Its IUPAC name is 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
PubChem CID113298762
Molecular FormulaC10H16N4OS3
Molecular Weight304.47 g/mol
Exact Mass304.05
IUPAC Name1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
SMILESCSc1nnc(SC2CCCC(N)(C(N)=O)C2)s1
InChIInChI=1S/C10H16N4OS3/c1-16-8-13-14-9(18-8)17-6-3-2-4-10(12,5-6)7(11)15/h6H,2-5,12H2,1H3,(H2,11,15)
InChIKeyHYHVQXFRYMIOEK-UHFFFAOYSA-N
XLogP1.48
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
CID 79635164
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclohexyl]methanol
CID 115384268
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide (CID 113298762) is 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is CSc1nnc(SC2CCCC(N)(C(N)=O)C2)s1.
What is the InChIKey of 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
The InChIKey is HYHVQXFRYMIOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS3/c1-16-8-13-14-9(18-8)17-6-3-2-4-10(12,5-6)7(11)15/h6H,2-5,12H2,1H3,(H2,11,15).
What are the key properties of 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide?
1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide has a molecular weight of 304.47 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 113298762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).