methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate

C12H12N2O3S2 — CID 2809560

IUPACmethyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2cccs2)sc1C
InChIInChI=1S/C12H12N2O3S2/c1-7-8(6-10(15)17-2)13-12(19-7)14-11(16)9-4-3-5-18-9/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyARLSYIAEWZRBSY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.48
Rot. Bonds4

About methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate

methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate (PubChem CID 2809560) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
PubChem CID2809560
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Namemethyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate
SMILESCOC(=O)Cc1nc(NC(=O)c2cccs2)sc1C
InChIInChI=1S/C12H12N2O3S2/c1-7-8(6-10(15)17-2)13-12(19-7)14-11(16)9-4-3-5-18-9/h3-5H,6H2,1-2H3,(H,13,14,16)
InChIKeyARLSYIAEWZRBSY-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
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
Ethyl 2-[2-[(5-chlorothiophene-2-carbonyl)amino]-1,3-thiazol-4-yl]acetate
CID 741416
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-[2-[(2-thiophen-2-ylacetyl)amino]-1,3-thiazol-4-yl]acetate
CID 787333
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 645083
N-(5-acetyl-4-methyl-1,3-thiazol-2-yl)thiophene-2-carboxamide
CID 734129
N-(4-tert-Butyl-1,3-thiazol-2-yl)-2-thiophenecarboxamide
CID 574261
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
2-[[(5-Ethyl-2-thiophenyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester
CID 1244006
Ethyl (2-{[(5-methyl-3-thienyl)carbonyl]amino}-1,3-thiazol-4-yl)acetate
CID 1246639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The IUPAC name of methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate (CID 2809560) is methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The canonical SMILES for methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate is COC(=O)Cc1nc(NC(=O)c2cccs2)sc1C.
What is the InChIKey of methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
The InChIKey is ARLSYIAEWZRBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-7-8(6-10(15)17-2)13-12(19-7)14-11(16)9-4-3-5-18-9/h3-5H,6H2,1-2H3,(H,13,14,16).
What are the key properties of methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate?
methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate has a molecular weight of 296.37 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-2-(thiophene-2-carbonylamino)-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2809560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).