methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate

C9H11NO2S2 — CID 54298856

IUPACmethyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate
SMILESCOC(=O)CNC(=S)c1ccc(C)s1
InChIInChI=1S/C9H11NO2S2/c1-6-3-4-7(14-6)9(13)10-5-8(11)12-2/h3-4H,5H2,1-2H3,(H,10,13)
InChIKeySCSRVGAODNNWNV-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.49
Rot. Bonds3

About methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate

methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate (PubChem CID 54298856) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate
PubChem CID54298856
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Namemethyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate
SMILESCOC(=O)CNC(=S)c1ccc(C)s1
InChIInChI=1S/C9H11NO2S2/c1-6-3-4-7(14-6)9(13)10-5-8(11)12-2/h3-4H,5H2,1-2H3,(H,10,13)
InChIKeySCSRVGAODNNWNV-UHFFFAOYSA-N
XLogP1.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamothioyl]phenyl]benzenecarbothioyl]amino]acetate
CID 143132501
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
CID 61031833
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868
N-(3-amino-3-sulfanylidenepropyl)-5-methylthiophene-2-carboxamide
CID 62665926
4-methoxy-4-methyl-1-(5-methylthiophen-2-yl)pentan-1-one
CID 103024423
[1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18209907
2-methoxyethyl 5-methylthiophene-2-carboxylate
CID 78830752
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 31142462
N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18104528
N-[(4-methoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 7959658
N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 79031640

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate?
The IUPAC name of methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate (CID 54298856) is methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate.
What is the SMILES notation for methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate?
The canonical SMILES for methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate is COC(=O)CNC(=S)c1ccc(C)s1.
What is the InChIKey of methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate?
The InChIKey is SCSRVGAODNNWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S2/c1-6-3-4-7(14-6)9(13)10-5-8(11)12-2/h3-4H,5H2,1-2H3,(H,10,13).
What are the key properties of methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate?
methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate has a molecular weight of 229.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylthiophene-2-carbothioyl)amino]acetate is sourced from PubChem (CID 54298856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).