ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate

C13H20N2O4S — CID 79364101

IUPACethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C(=O)OC)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-6-19-12(16)9-8(4)15-20-11(9)14-10(7(2)3)13(17)18-5/h7,10,14H,6H2,1-5H3
InChIKeyJRPNDPOZMJDYHT-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.24
Rot. Bonds6

About ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate

ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79364101) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79364101
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Nameethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC(C(=O)OC)C(C)C
InChIInChI=1S/C13H20N2O4S/c1-6-19-12(16)9-8(4)15-20-11(9)14-10(7(2)3)13(17)18-5/h7,10,14H,6H2,1-5H3
InChIKeyJRPNDPOZMJDYHT-UHFFFAOYSA-N
XLogP2.24
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 2-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-3-methylbutanoate
CID 79364176
ethyl 5-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371456
ethyl 3-methyl-5-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-1,2-thiazole-4-carboxylate
CID 79364107
ethyl 3-methyl-5-(1-phenylpropylamino)-1,2-thiazole-4-carboxylate
CID 79371231
ethyl 5-(3,5-dimethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376443
ethyl 5-(3-ethoxypropylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376446
ethyl 5-(4-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375573
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375895
ethyl 5-[[2-(dimethylamino)-2-oxoethyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79376002
ethyl 5-(cyclohexylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375806
ethyl 5-(2-methoxy-5-methylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79371007
ethyl 5-[2-(methoxymethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylate
CID 79371639

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate (CID 79364101) is ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC(C(=O)OC)C(C)C.
What is the InChIKey of ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is JRPNDPOZMJDYHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-6-19-12(16)9-8(4)15-20-11(9)14-10(7(2)3)13(17)18-5/h7,10,14H,6H2,1-5H3.
What are the key properties of ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 300.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79364101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).