methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

C16H16N4O4S — CID 18121923

IUPACmethyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCn1c(=O)n(CC(=O)Nc2ncc(C(=O)OC)s2)c2ccccc21
InChIInChI=1S/C16H16N4O4S/c1-3-19-10-6-4-5-7-11(10)20(16(19)23)9-13(21)18-15-17-8-12(25-15)14(22)24-2/h4-8H,3,9H2,1-2H3,(H,17,18,21)
InChIKeyNARPZYMPBUCTCS-UHFFFAOYSA-N
MW360.40 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate

methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (PubChem CID 18121923) has the molecular formula C16H16N4O4S and a molecular weight of 360.40 g/mol. Its IUPAC name is methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
PubChem CID18121923
Molecular FormulaC16H16N4O4S
Molecular Weight360.40 g/mol
Exact Mass360.09
IUPAC Namemethyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
SMILESCCn1c(=O)n(CC(=O)Nc2ncc(C(=O)OC)s2)c2ccccc21
InChIInChI=1S/C16H16N4O4S/c1-3-19-10-6-4-5-7-11(10)20(16(19)23)9-13(21)18-15-17-8-12(25-15)14(22)24-2/h4-8H,3,9H2,1-2H3,(H,17,18,21)
InChIKeyNARPZYMPBUCTCS-UHFFFAOYSA-N
XLogP1.70
TPSA95.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103685
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
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methyl 2-(isoindole-2-carbonylamino)-1,3-thiazole-5-carboxylate
CID 87562643
methyl 2-[[2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]-1,3-thiazole-5-carboxylate
CID 98286192
2-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]-1,3-thiazole-5-carboxamide
CID 78827961
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 42353568
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 24603739
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 51648188
methyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103641
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 51648189
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38034884

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate (CID 18121923) is methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is CCn1c(=O)n(CC(=O)Nc2ncc(C(=O)OC)s2)c2ccccc21.
What is the InChIKey of methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
The InChIKey is NARPZYMPBUCTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4S/c1-3-19-10-6-4-5-7-11(10)20(16(19)23)9-13(21)18-15-17-8-12(25-15)14(22)24-2/h4-8H,3,9H2,1-2H3,(H,17,18,21).
What are the key properties of methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate?
methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate has a molecular weight of 360.40 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 18121923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).