4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide

C15H15N3O2S — CID 65207857

IUPAC4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-13-14(21-18-17-13)15(20)16-12-8-6-11(7-9-12)5-3-4-10-19/h6-9,19H,2,4,10H2,1H3,(H,16,20)
InChIKeyDRNMEKWRFWIJPO-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.09
Rot. Bonds4

About 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide

4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide (PubChem CID 65207857) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
PubChem CID65207857
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC Name4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1ccc(C#CCCO)cc1
InChIInChI=1S/C15H15N3O2S/c1-2-13-14(21-18-17-13)15(20)16-12-8-6-11(7-9-12)5-3-4-10-19/h6-9,19H,2,4,10H2,1H3,(H,16,20)
InChIKeyDRNMEKWRFWIJPO-UHFFFAOYSA-N
XLogP2.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 24513704
N-[4-(3-aminoprop-1-ynyl)phenyl]-4-methylthiadiazole-5-carboxamide
CID 60803056
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-(3-amino-4-ethylphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65205872
4-ethyl-N-[3-(hydroxymethyl)phenyl]thiadiazole-5-carboxamide
CID 60693400
N-(6-amino-3-pyridinyl)-4-ethylthiadiazole-5-carboxamide
CID 65210585
2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224561
N-[4-(4-hydroxybut-1-ynyl)-3-methylphenyl]-4-methylthiadiazole-5-carboxamide
CID 60805127
N-(3-acetamidophenyl)-4-ethylthiadiazole-5-carboxamide
CID 46522307
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide (CID 65207857) is 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1ccc(C#CCCO)cc1.
What is the InChIKey of 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide?
The InChIKey is DRNMEKWRFWIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-2-13-14(21-18-17-13)15(20)16-12-8-6-11(7-9-12)5-3-4-10-19/h6-9,19H,2,4,10H2,1H3,(H,16,20).
What are the key properties of 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide?
4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 65207857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).