N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide

C12H13N3O2S — CID 7293420

IUPACN-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C12H13N3O2S/c1-3-17-10-7-5-4-6-9(10)13-12(16)11-8(2)14-15-18-11/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyNIKBCWYYPFAQFA-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.50
Rot. Bonds4

About N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide

N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide (PubChem CID 7293420) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
PubChem CID7293420
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1snnc1C
InChIInChI=1S/C12H13N3O2S/c1-3-17-10-7-5-4-6-9(10)13-12(16)11-8(2)14-15-18-11/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyNIKBCWYYPFAQFA-UHFFFAOYSA-N
XLogP2.50
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
N-(2-ethoxyphenyl)-2-(4-fluoroanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 30142319
N-(2-ethoxyphenyl)-2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 9192368
N-(2-ethoxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 42352848
ethane;N-[2-(hydroperoxymethyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 90926144
4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 30843274
N-[2-(cyanomethoxy)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204415
N-(2-ethoxyphenyl)-2,4,6-trimethylbenzamide
CID 17060500
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
N-(2-ethoxyphenyl)-4-methylthiophene-2-carboxamide
CID 110860143
4-methyl-N-[2-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]phenyl]thiadiazole-5-carboxamide
CID 176908653

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide (CID 7293420) is N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide is CCOc1ccccc1NC(=O)c1snnc1C.
What is the InChIKey of N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide?
The InChIKey is NIKBCWYYPFAQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-3-17-10-7-5-4-6-9(10)13-12(16)11-8(2)14-15-18-11/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide?
N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 7293420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).