2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid

C16H19N3O5S — CID 119197735

IUPAC2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCCc1nnsc1C(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H19N3O5S/c1-4-13-15(25-18-17-13)16(22)19(9-14(20)21)8-10-5-11(23-2)7-12(6-10)24-3/h5-7H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyRGPXKPRREAHPLN-UHFFFAOYSA-N
MW365.41 g/mol
LogP1.84
Rot. Bonds8

About 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid

2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid (PubChem CID 119197735) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
PubChem CID119197735
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Name2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid
SMILESCCc1nnsc1C(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H19N3O5S/c1-4-13-15(25-18-17-13)16(22)19(9-14(20)21)8-10-5-11(23-2)7-12(6-10)24-3/h5-7H,4,8-9H2,1-3H3,(H,20,21)
InChIKeyRGPXKPRREAHPLN-UHFFFAOYSA-N
XLogP1.84
TPSA101.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-ethylthiadiazole-5-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990498
2-[(4,5-diethylfuran-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 120686230
2-[(5-chlorothiophene-2-carbonyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197465
2-[(3,4-dimethoxybenzoyl)-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197682
2-[(3,5-dimethoxyphenyl)methyl-(2-methoxy-6-methylpyridine-3-carbonyl)amino]acetic acid
CID 120518082
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-(4-fluoro-2-methylbenzoyl)amino]acetic acid
CID 120518096
2-[(3,5-dimethoxyphenyl)methyl-(2-methylpyrazole-3-carbonyl)amino]acetic acid
CID 119197706
2-[(3,5-dimethoxyphenyl)methyl-(furan-3-carbonyl)amino]acetic acid
CID 119197732
2-[(3,5-dimethoxyphenyl)methyl-[3-(1,3-thiazol-2-yl)propanoyl]amino]acetic acid
CID 119197724
2-[[2-(butanoylamino)acetyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetic acid
CID 119197704
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid (CID 119197735) is 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid is CCc1nnsc1C(=O)N(CC(=O)O)Cc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid?
The InChIKey is RGPXKPRREAHPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-4-13-15(25-18-17-13)16(22)19(9-14(20)21)8-10-5-11(23-2)7-12(6-10)24-3/h5-7H,4,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid?
2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid has a molecular weight of 365.41 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenyl)methyl-(4-ethylthiadiazole-5-carbonyl)amino]acetic acid is sourced from PubChem (CID 119197735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).