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

C12H12N2O3S2 — CID 86847514

IUPACmethyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCCc1ncc(C(=O)Nc2ccsc2C(=O)OC)s1
InChIInChI=1S/C12H12N2O3S2/c1-3-9-13-6-8(19-9)11(15)14-7-4-5-18-10(7)12(16)17-2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAOBFNWLRNCDWOO-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.81
Rot. Bonds4

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

methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 86847514) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
PubChem CID86847514
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Namemethyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate
SMILESCCc1ncc(C(=O)Nc2ccsc2C(=O)OC)s1
InChIInChI=1S/C12H12N2O3S2/c1-3-9-13-6-8(19-9)11(15)14-7-4-5-18-10(7)12(16)17-2/h4-6H,3H2,1-2H3,(H,14,15)
InChIKeyAOBFNWLRNCDWOO-UHFFFAOYSA-N
XLogP2.81
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl N-[4-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]phenyl]carbamate
CID 48578248
methyl 3-[(5-chloropyrazine-2-carbonyl)amino]thiophene-2-carboxylate
CID 107371771
methyl 3-(1H-pyrazole-4-carbonylamino)thiophene-2-carboxylate
CID 43608097
2-ethyl-N-(1-methylpyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47426149
methyl 3-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]thiophene-2-carboxylate
CID 65357576
methyl 3-[(4-hydroxybenzoyl)amino]thiophene-2-carboxylate
CID 43112154
methyl 3-[[2-(ethylamino)-2-methylpropanoyl]amino]thiophene-2-carboxylate
CID 62836849
methyl 3-[2-(2-methoxycarbonylthiophen-3-yl)hydrazinyl]thiophene-2-carboxylate
CID 125484069
methyl 3-(thiadiazole-4-carbonylamino)thiophene-2-carboxylate
CID 1488645
methyl 3-[[4-(bromomethyl)benzoyl]amino]thiophene-2-carboxylate
CID 102850860
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
methyl 3-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate
CID 62075771

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate (CID 86847514) is methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate is CCc1ncc(C(=O)Nc2ccsc2C(=O)OC)s1.
What is the InChIKey of methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is AOBFNWLRNCDWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-3-9-13-6-8(19-9)11(15)14-7-4-5-18-10(7)12(16)17-2/h4-6H,3H2,1-2H3,(H,14,15).
What are the key properties of methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethyl-1,3-thiazole-5-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 86847514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).