4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide

C12H13N3O2S — CID 60693400

IUPAC4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H13N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-4-8(6-9)7-16/h3-6,16H,2,7H2,1H3,(H,13,17)
InChIKeyTZCDUMVJMBBNIN-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.85
Rot. Bonds4

About 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide

4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 60693400) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
PubChem CID60693400
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C12H13N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-4-8(6-9)7-16/h3-6,16H,2,7H2,1H3,(H,13,17)
InChIKeyTZCDUMVJMBBNIN-UHFFFAOYSA-N
XLogP1.85
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
N-[(3-acetamidophenyl)methyl]-4-ethylthiadiazole-5-carboxamide
CID 39573959
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
4-ethyl-N-(3-sulfamoylphenyl)thiadiazole-5-carboxamide
CID 60692504
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-ethyl-N-[3-[[2-(2-methoxyphenoxy)acetyl]amino]phenyl]thiadiazole-5-carboxamide
CID 55865042
4-ethyl-N-[3-(4-ethyl-1,2,4-triazol-3-yl)phenyl]thiadiazole-5-carboxamide
CID 32576289
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
N-(1,2-benzothiazol-5-yl)-4-ethylthiadiazole-5-carboxamide
CID 99825241
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylthiadiazole-5-carboxamide
CID 46521837
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide (CID 60693400) is 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is TZCDUMVJMBBNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-2-10-11(18-15-14-10)12(17)13-9-5-3-4-8(6-9)7-16/h3-6,16H,2,7H2,1H3,(H,13,17).
What are the key properties of 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide?
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 60693400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).