ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate

C10H14N2O3S — CID 33178147

IUPACethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H14N2O3S/c1-3-15-9(14)5-4-8(13)12-10-11-6-7(2)16-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyRCHUFPBFHOBALH-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.73
Rot. Bonds5

About ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate

ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate (PubChem CID 33178147) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate
PubChem CID33178147
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Nameethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)Nc1ncc(C)s1
InChIInChI=1S/C10H14N2O3S/c1-3-15-9(14)5-4-8(13)12-10-11-6-7(2)16-10/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyRCHUFPBFHOBALH-UHFFFAOYSA-N
XLogP1.73
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-Thiazol-2-yl-succinamic acid methyl ester
CID 667794
O-ethyl [2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylmethanethioate
CID 1796567
Propyl 4-oxo-4-(1,3-thiazol-2-ylcarbamothioylamino)butanoate
CID 4779137
Ethyl 4-oxo-4-(thiazol-2-ylamino)butanoate
CID 28270039
Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate
CID 383578
3-(2-methylpropoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 45887544
ethyl N-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]carbamate
CID 47051864
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 71999021
4-Oxo-4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoic acid
CID 90338331
Ethyl 2-(2-acetamido-1,3-thiazol-5-yl)-2,2-difluoroacetate
CID 102258947
Methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoate
CID 141716072
2-Methylpropyl 4-oxo-4-(1,3-thiazol-2-ylamino)butanoate
CID 3929718

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate (CID 33178147) is ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)Nc1ncc(C)s1.
What is the InChIKey of ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate?
The InChIKey is RCHUFPBFHOBALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-3-15-9(14)5-4-8(13)12-10-11-6-7(2)16-10/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate?
ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate has a molecular weight of 242.30 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-methyl-1,3-thiazol-2-yl)amino]-4-oxobutanoate is sourced from PubChem (CID 33178147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).