[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

C18H24N2O3S2 — CID 46608638

IUPAC[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)6-4-7-13(3)19-16(21)10-23-18(22)14-11-25-17(20-14)15-8-5-9-24-15/h5,8-9,11-13H,4,6-7,10H2,1-3H3,(H,19,21)
InChIKeyVERKSQXYCMNEJM-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.36
Rot. Bonds9

About [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate

[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 46608638) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
PubChem CID46608638
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
SMILESCC(C)CCCC(C)NC(=O)COC(=O)c1csc(-c2cccs2)n1
InChIInChI=1S/C18H24N2O3S2/c1-12(2)6-4-7-13(3)19-16(21)10-23-18(22)14-11-25-17(20-14)15-8-5-9-24-15/h5,8-9,11-13H,4,6-7,10H2,1-3H3,(H,19,21)
InChIKeyVERKSQXYCMNEJM-UHFFFAOYSA-N
XLogP4.36
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate with MolForge

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Related Compounds

N-(5-methylhexan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 18197973
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate
CID 46818167
N-methyl-N-(2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 134058808
[2-(butan-2-ylamino)-2-oxoethyl] 2-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 46827348
N-(4-hydroxybutan-2-yl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 81048947
[1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 46608507
N-(6-methylheptan-2-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)acetamide
CID 51053602
[(2S)-1,1,1-trifluoropropan-2-yl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 95783677
(3-methyl-1,2-oxazol-5-yl)methyl 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 18099994
N-(2-amino-2-oxoethoxy)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 112551146
[2-oxo-2-[(2Z)-2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate
CID 55563022

Frequently Asked Questions

What is the IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate (CID 46608638) is [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is CC(C)CCCC(C)NC(=O)COC(=O)c1csc(-c2cccs2)n1.
What is the InChIKey of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is VERKSQXYCMNEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-12(2)6-4-7-13(3)19-16(21)10-23-18(22)14-11-25-17(20-14)15-8-5-9-24-15/h5,8-9,11-13H,4,6-7,10H2,1-3H3,(H,19,21).
What are the key properties of [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate?
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 380.54 g/mol, XLogP of 4.36, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-thiophen-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 46608638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).