methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate

C14H15NO2S — CID 83971378

IUPACmethyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2cc(C)ccc2C)c1N
InChIInChI=1S/C14H15NO2S/c1-8-4-5-9(2)10(6-8)11-7-18-13(12(11)15)14(16)17-3/h4-7H,15H2,1-3H3
InChIKeyWOMPTHVLMQDOST-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.40
Rot. Bonds2

About methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate

methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate (PubChem CID 83971378) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate
PubChem CID83971378
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Namemethyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(-c2cc(C)ccc2C)c1N
InChIInChI=1S/C14H15NO2S/c1-8-4-5-9(2)10(6-8)11-7-18-13(12(11)15)14(16)17-3/h4-7H,15H2,1-3H3
InChIKeyWOMPTHVLMQDOST-UHFFFAOYSA-N
XLogP3.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-4-(4-tert-butylphenyl)thiophene-2-carboxylate
CID 83971360
methyl 3-amino-4-chlorothiophene-2-carboxylate
CID 22139844
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
4-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]amino]-4-oxobutanoate
CID 4748172
methyl 2-[[2-(2-aminoethylsulfanyl)acetyl]amino]-4-(2,5-dimethylphenyl)thiophene-3-carboxylate
CID 84560515
ethyl 4-(2,5-dimethylphenyl)-2-[(3-methylthiophene-2-carbonyl)amino]thiophene-3-carboxylate
CID 995720
methyl 5-amino-4-(2,5-dimethylphenyl)-1,2-oxazole-3-carboxylate
CID 82086057
methyl 3-amino-4-(3,4-dimethylphenyl)-5-methylthiophene-2-carboxylate
CID 83971383
cis-(1S,2R)-2-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7058258
cis-(1R,2S)-2-[[4-(2,5-dimethylphenyl)-3-methoxycarbonylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 7058259
methyl 3-amino-4-methylsulfonylthiophene-2-carboxylate
CID 2778572
methyl 3-[(2-bromo-4-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915762

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate (CID 83971378) is methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate is COC(=O)c1scc(-c2cc(C)ccc2C)c1N.
What is the InChIKey of methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate?
The InChIKey is WOMPTHVLMQDOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-8-4-5-9(2)10(6-8)11-7-18-13(12(11)15)14(16)17-3/h4-7H,15H2,1-3H3.
What are the key properties of methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate?
methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate has a molecular weight of 261.35 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-4-(2,5-dimethylphenyl)thiophene-2-carboxylate is sourced from PubChem (CID 83971378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).