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

C11H19N5OS2 — CID 79635164

IUPAC1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
SMILESCN(C)c1nnc(SC2CCCC(N)(C(N)=O)C2)s1
InChIInChI=1S/C11H19N5OS2/c1-16(2)9-14-15-10(19-9)18-7-4-3-5-11(13,6-7)8(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17)
InChIKeyWHAWNMOOEKJUIC-UHFFFAOYSA-N
MW301.44 g/mol
LogP0.82
Rot. Bonds4

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

1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide (PubChem CID 79635164) has the molecular formula C11H19N5OS2 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
PubChem CID79635164
Molecular FormulaC11H19N5OS2
Molecular Weight301.44 g/mol
Exact Mass301.10
IUPAC Name1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide
SMILESCN(C)c1nnc(SC2CCCC(N)(C(N)=O)C2)s1
InChIInChI=1S/C11H19N5OS2/c1-16(2)9-14-15-10(19-9)18-7-4-3-5-11(13,6-7)8(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17)
InChIKeyWHAWNMOOEKJUIC-UHFFFAOYSA-N
XLogP0.82
TPSA98.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
5-(3-aminocyclohexyl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 64717985
1-amino-3-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 106925119
1-amino-3-(1-methylpyrazol-4-yl)sulfanylcyclohexane-1-carboxamide
CID 79634834
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
1-amino-3-ethylsulfanylcyclohexane-1-carboxamide
CID 79638267
1-amino-3-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexane-1-carboxamide
CID 79634964
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
CID 115383534
1-amino-3-(3,4-dichlorophenyl)sulfanylcyclohexane-1-carboxamide
CID 79635792
methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635853
1-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanylcyclohexane-1-carboxamide
CID 79634807
1-amino-3-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxamide
CID 79656985

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide (CID 79635164) is 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide is CN(C)c1nnc(SC2CCCC(N)(C(N)=O)C2)s1.
What is the InChIKey of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide?
The InChIKey is WHAWNMOOEKJUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS2/c1-16(2)9-14-15-10(19-9)18-7-4-3-5-11(13,6-7)8(12)17/h7H,3-6,13H2,1-2H3,(H2,12,17).
What are the key properties of 1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide?
1-amino-3-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide has a molecular weight of 301.44 g/mol, XLogP of 0.82, 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-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 79635164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).