methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate

C10H15N3O2S3 — CID 115383534

IUPACmethyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C10H15N3O2S3/c1-15-7(14)10(11)4-3-6(5-10)17-9-13-12-8(16-2)18-9/h6H,3-5,11H2,1-2H3
InChIKeyCSOCEWIRBCDUSU-UHFFFAOYSA-N
MW305.45 g/mol
LogP1.78
Rot. Bonds4

About methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate

methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate (PubChem CID 115383534) has the molecular formula C10H15N3O2S3 and a molecular weight of 305.45 g/mol. Its IUPAC name is methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
PubChem CID115383534
Molecular FormulaC10H15N3O2S3
Molecular Weight305.45 g/mol
Exact Mass305.03
IUPAC Namemethyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(N)CCC(Sc2nnc(SC)s2)C1
InChIInChI=1S/C10H15N3O2S3/c1-15-7(14)10(11)4-3-6(5-10)17-9-13-12-8(16-2)18-9/h6H,3-5,11H2,1-2H3
InChIKeyCSOCEWIRBCDUSU-UHFFFAOYSA-N
XLogP1.78
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate with MolForge

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Related Compounds

1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 113298762
methyl 1-amino-3-(1,3,4-thiadiazol-2-ylsulfanyl)cyclohexane-1-carboxylate
CID 79635853
1-(methylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxamide
CID 115383582
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599
methyl 1-amino-3-(3,4-difluorophenyl)sulfanylcyclopentane-1-carboxylate
CID 79654291
1-(ethylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 115383458
methyl 1-amino-2-[2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylate
CID 115383581
methyl 1-amino-3-(1-methyltetrazol-5-yl)sulfanylcyclohexane-1-carboxylate
CID 79633730
methyl 1-amino-3-[(3-chloro-2-pyridinyl)sulfanyl]cyclopentane-1-carboxylate
CID 79655839
methyl 1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylate
CID 79634028
2-cyclopentylsulfanyl-5-methylsulfanyl-1,3,4-thiadiazole
CID 131208793
[3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(propylamino)cyclopentyl]methanol
CID 115384282

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate (CID 115383534) is methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate is COC(=O)C1(N)CCC(Sc2nnc(SC)s2)C1.
What is the InChIKey of methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate?
The InChIKey is CSOCEWIRBCDUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S3/c1-15-7(14)10(11)4-3-6(5-10)17-9-13-12-8(16-2)18-9/h6H,3-5,11H2,1-2H3.
What are the key properties of methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate?
methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate has a molecular weight of 305.45 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylate is sourced from PubChem (CID 115383534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).