methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate

C9H7N3O3S2 — CID 1488645

IUPACmethyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1csnn1
InChIInChI=1S/C9H7N3O3S2/c1-15-9(14)7-5(2-3-16-7)10-8(13)6-4-17-12-11-6/h2-4H,1H3,(H,10,13)
InChIKeyUHGANFPHVQEFFY-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.64
Rot. Bonds3

About methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate

methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate (PubChem CID 1488645) has the molecular formula C9H7N3O3S2 and a molecular weight of 269.31 g/mol. Its IUPAC name is methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
PubChem CID1488645
Molecular FormulaC9H7N3O3S2
Molecular Weight269.31 g/mol
Exact Mass268.99
IUPAC Namemethyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1csnn1
InChIInChI=1S/C9H7N3O3S2/c1-15-9(14)7-5(2-3-16-7)10-8(13)6-4-17-12-11-6/h2-4H,1H3,(H,10,13)
InChIKeyUHGANFPHVQEFFY-UHFFFAOYSA-N
XLogP1.64
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
methyl 3-[(6-methoxypyrimidine-4-carbonyl)amino]thiophene-2-carboxylate
CID 121167403
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[[2-(methylamino)benzoyl]amino]thiophene-2-carboxylate
CID 61376688
methyl 3-[(5-chloro-2-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 28881765
methyl 3-[(6-piperidin-1-ylpyridazine-3-carbonyl)amino]thiophene-2-carboxylate
CID 121028038
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-[[2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetyl]amino]thiophene-2-carboxylate
CID 43137996
methyl 3-(methylamino)thiophene-2-carboxylate
CID 19005896
methyl 3-(hydroxyamino)thiophene-2-carboxylate
CID 90258603
methyl 3-(2-methylpropanoylamino)thiophene-2-carboxylate
CID 4108556

Frequently Asked Questions

What is the IUPAC name of methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate (CID 1488645) is methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1csnn1.
What is the InChIKey of methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate?
The InChIKey is UHGANFPHVQEFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3S2/c1-15-9(14)7-5(2-3-16-7)10-8(13)6-4-17-12-11-6/h2-4H,1H3,(H,10,13).
What are the key properties of methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate?
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate has a molecular weight of 269.31 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate is sourced from PubChem (CID 1488645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).