methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

C11H16N2O4S — CID 80569883

IUPACmethyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C(C)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O4S/c1-5-17-9(14)7(3)13-11-12-6(2)8(18-11)10(15)16-4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyUTISCCOYVCMGOJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.60
Rot. Bonds5

About methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate

methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 80569883) has the molecular formula C11H16N2O4S and a molecular weight of 272.33 g/mol. Its IUPAC name is methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID80569883
Molecular FormulaC11H16N2O4S
Molecular Weight272.33 g/mol
Exact Mass272.08
IUPAC Namemethyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)C(C)Nc1nc(C)c(C(=O)OC)s1
InChIInChI=1S/C11H16N2O4S/c1-5-17-9(14)7(3)13-11-12-6(2)8(18-11)10(15)16-4/h7H,5H2,1-4H3,(H,12,13)
InChIKeyUTISCCOYVCMGOJ-UHFFFAOYSA-N
XLogP1.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 2-(1-ethoxypropan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569652
methyl 2-(3-methoxybutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 154733975
ethyl 4-methyl-2-(2-methylpropanoylamino)-1,3-thiazole-5-carboxylate
CID 3663745
methyl 4-methyl-2-(pentanoylamino)-1,3-thiazole-5-carboxylate
CID 5058750
ethyl 2-(ethoxycarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 897799
methyl 2-(2,2-dimethylbutylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 103466445
methyl 2-(1-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 82115430
methyl 4-methyl-2-(octanoylamino)-1,3-thiazole-5-carboxylate
CID 3466631
ethyl 2-[(3-amino-2-methylpropanoyl)amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 168974660
methyl 4-methyl-2-[1-(1H-pyrazol-4-yl)ethylamino]-1,3-thiazole-5-carboxylate
CID 106218801
ethyl 2-(methanesulfonamido)-4-methyl-1,3-thiazole-5-carboxylate
CID 2989996
ethyl 2-[2-(cyclopropylmethoxy)propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 86847229

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate (CID 80569883) is methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)C(C)Nc1nc(C)c(C(=O)OC)s1.
What is the InChIKey of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is UTISCCOYVCMGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4S/c1-5-17-9(14)7(3)13-11-12-6(2)8(18-11)10(15)16-4/h7H,5H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate?
methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 272.33 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethoxy-1-oxopropan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80569883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).