ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate

C10H14N2O3S — CID 671916

IUPACethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(N)=O)sc(C)c1C
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(13)7-5(2)6(3)16-8(7)12-10(11)14/h4H2,1-3H3,(H3,11,12,14)
InChIKeyOHKILCHDDOPSFK-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.03
Rot. Bonds3

About ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate

ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate (PubChem CID 671916) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate
PubChem CID671916
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(N)=O)sc(C)c1C
InChIInChI=1S/C10H14N2O3S/c1-4-15-9(13)7-5(2)6(3)16-8(7)12-10(11)14/h4H2,1-3H3,(H3,11,12,14)
InChIKeyOHKILCHDDOPSFK-UHFFFAOYSA-N
XLogP2.03
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 602880
Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(((methylamino)thioxomethyl)amino)-, ethyl ester
CID 736267
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
ethyl 2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-4,5-dimethylthiophene-3-carboxylate
CID 543159
Ethyl 5-amino-4-carbamoyl-3-methylthiophene-2-carboxylate
CID 611221
Ethyl 2-amino-4,5-dimethyl3-thenoate
CID 78536
(2-Oxooxolan-3-yl) 2-acetamido-4,5-dimethylthiophene-3-carboxylate
CID 3000068
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964
Ethyl 4,5-dimethyl-2-[(morpholinocarbothioyl)amino]-3-thiophenecarboxylate
CID 2816737
Ethyl 4,5-dimethyl-2-[[2-(2-methylcyclopropanecarbonyl)oxyacetyl]amino]thiophene-3-carboxylate
CID 4456612

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate (CID 671916) is ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate is CCOC(=O)c1c(NC(N)=O)sc(C)c1C.
What is the InChIKey of ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate?
The InChIKey is OHKILCHDDOPSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-4-15-9(13)7-5(2)6(3)16-8(7)12-10(11)14/h4H2,1-3H3,(H3,11,12,14).
What are the key properties of ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate?
ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(carbamoylamino)-4,5-dimethylthiophene-3-carboxylate is sourced from PubChem (CID 671916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).