methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate

C10H10N4O3S — CID 114916114

IUPACmethyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H10N4O3S/c1-5-4-18-8(10(16)17-2)7(5)12-9(15)6-3-11-14-13-6/h3-4H,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyHASHWIZHIZUCDW-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.21
Rot. Bonds3

About methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate (PubChem CID 114916114) has the molecular formula C10H10N4O3S and a molecular weight of 266.28 g/mol. Its IUPAC name is methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
PubChem CID114916114
Molecular FormulaC10H10N4O3S
Molecular Weight266.28 g/mol
Exact Mass266.05
IUPAC Namemethyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1NC(=O)c1cn[nH]n1
InChIInChI=1S/C10H10N4O3S/c1-5-4-18-8(10(16)17-2)7(5)12-9(15)6-3-11-14-13-6/h3-4H,1-2H3,(H,12,15)(H,11,13,14)
InChIKeyHASHWIZHIZUCDW-UHFFFAOYSA-N
XLogP1.21
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-3-[(1-methylimidazole-4-carbonyl)amino]thiophene-2-carboxylate
CID 114022860
methyl 3-[(6-fluoropyridine-2-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114915398
methyl 3-[(3-chloro-5-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114916201
methyl 4-methyl-3-[(2,2,2-trichloroacetyl)amino]thiophene-2-carboxylate
CID 2807911
methyl 3-[(4-bromobenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915742
methyl 3-[(4-chloro-2-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 102610428
methyl 4-methyl-3-(1H-pyrazol-4-ylsulfonylamino)thiophene-2-carboxylate
CID 114916103
methyl 3-[(2,5-dimethylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 99623538
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114914522
methyl 3-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-4-methylthiophene-2-carboxylate
CID 114916137
methyl 3-[(2-fluoro-3-methylbenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915416
methyl 3-[(3-hydroxybenzoyl)amino]-4-methylthiophene-2-carboxylate
CID 114915804

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate (CID 114916114) is methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate is COC(=O)c1scc(C)c1NC(=O)c1cn[nH]n1.
What is the InChIKey of methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate?
The InChIKey is HASHWIZHIZUCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S/c1-5-4-18-8(10(16)17-2)7(5)12-9(15)6-3-11-14-13-6/h3-4H,1-2H3,(H,12,15)(H,11,13,14).
What are the key properties of methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate has a molecular weight of 266.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2H-triazole-4-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 114916114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).