methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate

C13H14N2O3S2 — CID 61383522

IUPACmethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O3S2/c1-3-15(6-11(16)18-2)13(17)10-8-20-12(14-10)9-4-5-19-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVDLFLBNTKXIHOE-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.51
Rot. Bonds5

About methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate

methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (PubChem CID 61383522) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
PubChem CID61383522
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC Namemethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C13H14N2O3S2/c1-3-15(6-11(16)18-2)13(17)10-8-20-12(14-10)9-4-5-19-7-9/h4-5,7-8H,3,6H2,1-2H3
InChIKeyVDLFLBNTKXIHOE-UHFFFAOYSA-N
XLogP2.51
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 37003412
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
methyl 2-[methyl-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]amino]acetate
CID 60673153
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 38823864
2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 43354490
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 9089274
N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 55554572
N,N-diethyl-2-(3-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 42866037
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 134012565
N-(3-hydroxy-4-methoxybutyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 103877534

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate (CID 61383522) is methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
The InChIKey is VDLFLBNTKXIHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-3-15(6-11(16)18-2)13(17)10-8-20-12(14-10)9-4-5-19-7-9/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate?
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate has a molecular weight of 310.40 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 61383522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).