ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate

C11H16N2O3S — CID 3663745

IUPACethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)C)nc1C
InChIInChI=1S/C11H16N2O3S/c1-5-16-10(15)8-7(4)12-11(17-8)13-9(14)6(2)3/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyKWGOHYHMXAJRDY-UHFFFAOYSA-N
MW256.33 g/mol
LogP2.22
Rot. Bonds4

About ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate

ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate (PubChem CID 3663745) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
PubChem CID3663745
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Nameethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)C(C)C)nc1C
InChIInChI=1S/C11H16N2O3S/c1-5-16-10(15)8-7(4)12-11(17-8)13-9(14)6(2)3/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyKWGOHYHMXAJRDY-UHFFFAOYSA-N
XLogP2.22
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
ethyl 2-(hydrazinecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 86635202
ethyl 2-[2-(cyclopropylmethoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86847229
ethyl 2-[[(2R)-2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41339338
ethyl 2-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 41141927
ethyl 2-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 1291639
ethyl 2-[[(2S)-2-acetamido-2-cyclopentylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 27147641
ethyl 2-[(2-acetyloxy-2-phenylacetyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 2890942
ethyl 2-[(4-iodobenzoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 26266801
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-[2-(2,3-dichlorophenoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 43077610

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate (CID 3663745) is ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)C(C)C)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is KWGOHYHMXAJRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-5-16-10(15)8-7(4)12-11(17-8)13-9(14)6(2)3/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 256.33 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 3663745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).