[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

C15H18N2O3S2 — CID 18122802

IUPAC[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H18N2O3S2/c1-4-15(2,3)17-12(18)7-20-14(19)11-9-22-13(16-11)10-5-6-21-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyMMRPQTSSAFPLDD-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.33
Rot. Bonds6

About [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate

[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 18122802) has the molecular formula C15H18N2O3S2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
PubChem CID18122802
Molecular FormulaC15H18N2O3S2
Molecular Weight338.45 g/mol
Exact Mass338.08
IUPAC Name[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
SMILESCCC(C)(C)NC(=O)COC(=O)c1csc(-c2ccsc2)n1
InChIInChI=1S/C15H18N2O3S2/c1-4-15(2,3)17-12(18)7-20-14(19)11-9-22-13(16-11)10-5-6-21-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18)
InChIKeyMMRPQTSSAFPLDD-UHFFFAOYSA-N
XLogP3.33
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55426094
[2-oxo-2-(propylcarbamoylamino)ethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122778
2-chloroprop-2-enyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 55476103
[2-(tert-butylamino)-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837968
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
[2-(azocan-1-yl)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 18122805
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 37003412
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 24522758
[2-[methyl(1-phenylethyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544769
1,3-benzothiazol-2-ylmethyl 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 40766094
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 110003115
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate
CID 46544768

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate (CID 18122802) is [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is CCC(C)(C)NC(=O)COC(=O)c1csc(-c2ccsc2)n1.
What is the InChIKey of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is MMRPQTSSAFPLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S2/c1-4-15(2,3)17-12(18)7-20-14(19)11-9-22-13(16-11)10-5-6-21-8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,18).
What are the key properties of [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate?
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 338.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-thiophen-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 18122802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).