ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C12H11ClN2O3S2 — CID 671705

IUPACethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1C
InChIInChI=1S/C12H11ClN2O3S2/c1-3-18-11(17)9-6(2)14-12(20-9)15-10(16)7-4-5-8(13)19-7/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyBZVSDJSIEIWRNC-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.60
Rot. Bonds4

About ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 671705) has the molecular formula C12H11ClN2O3S2 and a molecular weight of 330.82 g/mol. Its IUPAC name is ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID671705
Molecular FormulaC12H11ClN2O3S2
Molecular Weight330.82 g/mol
Exact Mass329.99
IUPAC Nameethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1C
InChIInChI=1S/C12H11ClN2O3S2/c1-3-18-11(17)9-6(2)14-12(20-9)15-10(16)7-4-5-8(13)19-7/h4-5H,3H2,1-2H3,(H,14,15,16)
InChIKeyBZVSDJSIEIWRNC-UHFFFAOYSA-N
XLogP3.60
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 671705) is ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccc(Cl)s2)nc1C.
What is the InChIKey of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is BZVSDJSIEIWRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S2/c1-3-18-11(17)9-6(2)14-12(20-9)15-10(16)7-4-5-8(13)19-7/h4-5H,3H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 330.82 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-chlorothiophene-2-carbonyl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 671705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).