N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

C12H14N4O2S — CID 80616293

IUPACN-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2nnc(NC)s2)c1
InChIInChI=1S/C12H14N4O2S/c1-3-18-9-6-4-5-8(7-9)14-10(17)11-15-16-12(13-2)19-11/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyATVINKFCHMIODQ-UHFFFAOYSA-N
MW278.34 g/mol
LogP2.23
Rot. Bonds5

About N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide

N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616293) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616293
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
SMILESCCOc1cccc(NC(=O)c2nnc(NC)s2)c1
InChIInChI=1S/C12H14N4O2S/c1-3-18-9-6-4-5-8(7-9)14-10(17)11-15-16-12(13-2)19-11/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyATVINKFCHMIODQ-UHFFFAOYSA-N
XLogP2.23
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-ethoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80619227
5-(methylamino)-N-[3-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618388
N-(3-iodophenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615800
N-(3-methoxyphenyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615091
N-(3,4-dimethylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80618897
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
N-[3-(2-amino-2-oxoethoxy)phenyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625856
5-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 61061483
6-bromo-N-(3-ethoxyphenyl)pyridine-3-carboxamide
CID 66463087
4-amino-N-(3-ethoxyphenyl)-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 116664072
4-carbamothioyl-N-(3-ethoxyphenyl)benzamide
CID 61242679
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
CID 134119682

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide (CID 80616293) is N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is CCOc1cccc(NC(=O)c2nnc(NC)s2)c1.
What is the InChIKey of N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is ATVINKFCHMIODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-3-18-9-6-4-5-8(7-9)14-10(17)11-15-16-12(13-2)19-11/h4-7H,3H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide?
N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).