4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate

C17H19N2O4S- — CID 9147935

IUPAC4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCCCOc1cccc(CNC(=O)Cc2nc(C)c(C(=O)[O-])s2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-7-23-13-6-4-5-12(8-13)10-18-14(20)9-15-19-11(2)16(24-15)17(21)22/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,20)(H,21,22)/p-1
InChIKeyAYCXEBDJTLBHMV-UHFFFAOYSA-M
MW347.42 g/mol
LogP1.46
Rot. Bonds8

About 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate

4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate (PubChem CID 9147935) has the molecular formula C17H19N2O4S- and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
PubChem CID9147935
Molecular FormulaC17H19N2O4S-
Molecular Weight347.42 g/mol
Exact Mass347.11
IUPAC Name4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate
SMILESCCCOc1cccc(CNC(=O)Cc2nc(C)c(C(=O)[O-])s2)c1
InChIInChI=1S/C17H20N2O4S/c1-3-7-23-13-6-4-5-12(8-13)10-18-14(20)9-15-19-11(2)16(24-15)17(21)22/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,20)(H,21,22)/p-1
InChIKeyAYCXEBDJTLBHMV-UHFFFAOYSA-M
XLogP1.46
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936
2-[2-[(2-butoxynaphthalen-1-yl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 9148006
4-methyl-2-[2-[2-[4-(4-methylphenyl)phenoxy]ethylamino]-2-oxoethyl]-1,3-thiazole-5-carboxylate
CID 9155282
2-[2-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-thiazol-4-yl]acetate
CID 9148390
4-methyl-2-[2-oxo-2-[2-(2,3,6-trimethylphenoxy)ethylamino]ethyl]-1,3-thiazole-5-carboxylate
CID 9155148
2-(5-acetyl-4-methyl-1,3-thiazol-2-yl)-N-benzylacetamide
CID 9232883
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55787475
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
2-[2-(benzylamino)-2-oxoethyl]-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 9233075
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887
2-(methoxymethyl)-4-methyl-N-[(2-methyl-4-propoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 119046733
2-[2-[(4-ethoxy-3-methoxyphenyl)methylamino]-2-oxoethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 9147635

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate (CID 9147935) is 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate is CCCOc1cccc(CNC(=O)Cc2nc(C)c(C(=O)[O-])s2)c1.
What is the InChIKey of 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate?
The InChIKey is AYCXEBDJTLBHMV-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H20N2O4S/c1-3-7-23-13-6-4-5-12(8-13)10-18-14(20)9-15-19-11(2)16(24-15)17(21)22/h4-6,8H,3,7,9-10H2,1-2H3,(H,18,20)(H,21,22)/p-1.
What are the key properties of 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate?
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate has a molecular weight of 347.42 g/mol, XLogP of 1.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 9147935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).