ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate

C11H10N2O3S2 — CID 726753

IUPACethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C11H10N2O3S2/c1-2-16-10(15)7-6-18-11(12-7)13-9(14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBGOMTVMWLBGJKE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.63
Rot. Bonds4

About ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate

ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate (PubChem CID 726753) has the molecular formula C11H10N2O3S2 and a molecular weight of 282.35 g/mol. Its IUPAC name is ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate
PubChem CID726753
Molecular FormulaC11H10N2O3S2
Molecular Weight282.35 g/mol
Exact Mass282.01
IUPAC Nameethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C11H10N2O3S2/c1-2-16-10(15)7-6-18-11(12-7)13-9(14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14)
InChIKeyBGOMTVMWLBGJKE-UHFFFAOYSA-N
XLogP2.63
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 1225713
N-(4-methyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 786375
5-ethyl-N-(4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 1246066
Ethyl 2-(3-(phenylthio)propanamido)thiazole-4-carboxylate
CID 4611105
Ethyl 2-benzamido-1,3-thiazole-4-carboxylate
CID 4067950
Ethyl 4-methyl-2-[(2-thienylcarbonyl)amino]-1,3-thiazole-5-carboxylate
CID 696042
Ethyl 2-[2-(thiophene-2-amido)-1,3-thiazol-4-yl]acetate
CID 702932
Ethyl (2-{[(5-methyl-3-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1246639
Methyl 5-methyl-2-(thiophene-2-carbonylcarbamothioylamino)-1,3-thiazole-4-carboxylate
CID 2298933
Acetic acid, oxo((4-(2-thienyl)-2-thiazolyl)amino)-, ethyl ester
CID 3068156
Ethyl 2-(2-(3-(thiophene-2-carbonyl)thioureido)thiazol-4-yl)acetate
CID 2254932
Ethyl 2-[(3-fluorobenzoyl)amino]-1,3-thiazole-4-carboxylate
CID 4386680

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate (CID 726753) is ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is BGOMTVMWLBGJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S2/c1-2-16-10(15)7-6-18-11(12-7)13-9(14)8-4-3-5-17-8/h3-6H,2H2,1H3,(H,12,13,14).
What are the key properties of ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate?
ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 282.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(thiophene-2-carbonylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 726753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).