methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate

C14H15N3O3S — CID 60724264

IUPACmethyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
SMILESCCc1nnsc1C(=O)N(C)c1ccccc1C(=O)OC
InChIInChI=1S/C14H15N3O3S/c1-4-10-12(21-16-15-10)13(18)17(2)11-8-6-5-7-9(11)14(19)20-3/h5-8H,4H2,1-3H3
InChIKeyDSMNWLDPDSARRK-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate

methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate (PubChem CID 60724264) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
PubChem CID60724264
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Namemethyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate
SMILESCCc1nnsc1C(=O)N(C)c1ccccc1C(=O)OC
InChIInChI=1S/C14H15N3O3S/c1-4-10-12(21-16-15-10)13(18)17(2)11-8-6-5-7-9(11)14(19)20-3/h5-8H,4H2,1-3H3
InChIKeyDSMNWLDPDSARRK-UHFFFAOYSA-N
XLogP2.16
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[methyl-(2-methylsulfanylacetyl)amino]benzoate
CID 43423111
methyl 2-[(2-fluorobenzoyl)-methylamino]benzoate
CID 3249566
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CID 19154768
methyl 2-[methyl-(4-methylbenzoyl)amino]benzoate
CID 20787954
methyl 2-[3-acetamidopropanoyl(methyl)amino]benzoate
CID 43423098
2-[methyl-(4-propan-2-ylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65207093
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
methyl 2-[(5-chloro-2-ethylsulfonylpyrimidine-4-carbonyl)-methylamino]benzoate
CID 19245754
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]thiadiazole-5-carboxamide
CID 33067113
methyl 2-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzoate
CID 43423110
4-ethyl-N-[2-(2-fluorophenyl)ethyl]thiadiazole-5-carboxamide
CID 34729675
methyl 2-[methyl(3-oxododecanoyl)amino]benzoate
CID 87566674

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate?
The IUPAC name of methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate (CID 60724264) is methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate.
What is the SMILES notation for methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate?
The canonical SMILES for methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate is CCc1nnsc1C(=O)N(C)c1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate?
The InChIKey is DSMNWLDPDSARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-4-10-12(21-16-15-10)13(18)17(2)11-8-6-5-7-9(11)14(19)20-3/h5-8H,4H2,1-3H3.
What are the key properties of methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate?
methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate has a molecular weight of 305.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-ethylthiadiazole-5-carbonyl)-methylamino]benzoate is sourced from PubChem (CID 60724264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).