methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate

C10H10N2O2S3 — CID 18537166

IUPACmethyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(N)n2)c(SC)s1
InChIInChI=1S/C10H10N2O2S3/c1-14-8(13)7-3-5(9(15-2)17-7)6-4-16-10(11)12-6/h3-4H,1-2H3,(H2,11,12)
InChIKeyFQVMWYJTKCSAJU-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.96
Rot. Bonds3

About methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate

methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate (PubChem CID 18537166) has the molecular formula C10H10N2O2S3 and a molecular weight of 286.40 g/mol. Its IUPAC name is methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate
PubChem CID18537166
Molecular FormulaC10H10N2O2S3
Molecular Weight286.40 g/mol
Exact Mass285.99
IUPAC Namemethyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate
SMILESCOC(=O)c1cc(-c2csc(N)n2)c(SC)s1
InChIInChI=1S/C10H10N2O2S3/c1-14-8(13)7-3-5(9(15-2)17-7)6-4-16-10(11)12-6/h3-4H,1-2H3,(H2,11,12)
InChIKeyFQVMWYJTKCSAJU-UHFFFAOYSA-N
XLogP2.96
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-[2-(benzhydrylamino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate;hydrobromide
CID 18537160
methyl 4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate
CID 18537443
methyl 5-methylsulfanyl-4-[2-(3-phenylpropylamino)-1,3-thiazol-4-yl]thiophene-2-carboxylate
CID 18537201
methyl 5-methylsulfanyl-4-(6-phenyl-2-pyridinyl)thiophene-2-carboxylate
CID 18536958
methyl 4-[2-(2,3-dichloroanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate;hydrobromide
CID 18537354
methyl 4-[2-(4-benzylanilino)-1,3-thiazol-4-yl]-5-methylsulfanylthiophene-2-carboxylate;hydrobromide
CID 18536776
methyl 4-[4-(4-tert-butyl-2-methylfuran-3-yl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylate
CID 18672194
methyl 5-methylsulfanyl-4-[4-[4-(trifluoromethylsulfonylamino)phenyl]-1,3-thiazol-2-yl]thiophene-2-carboxylate
CID 18537216
methyl 4-(3-bromophenyl)-5-methylsulfanylthiophene-2-carboxylate
CID 70983898
methyl 5-methylsulfanyl-4-sulfanylthiophene-2-carboxylate
CID 141025774
methyl 4-(carbamothioylamino)-5-methylsulfanylthiophene-2-carboxylate
CID 18536947
4-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methylsulfanylthiophene-2-carboxylic acid
CID 91607211

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate?
The IUPAC name of methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate (CID 18537166) is methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate?
The canonical SMILES for methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate is COC(=O)c1cc(-c2csc(N)n2)c(SC)s1.
What is the InChIKey of methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate?
The InChIKey is FQVMWYJTKCSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S3/c1-14-8(13)7-3-5(9(15-2)17-7)6-4-16-10(11)12-6/h3-4H,1-2H3,(H2,11,12).
What are the key properties of methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate?
methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate has a molecular weight of 286.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-1,3-thiazol-4-yl)-5-methylsulfanylthiophene-2-carboxylate is sourced from PubChem (CID 18537166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).