N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide

C15H19N3OS — CID 24513704

IUPACN-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2snnc2CC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-5-6-11-7-9-12(10-8-11)16-15(19)14-13(4-2)17-18-20-14/h7-10H,3-6H2,1-2H3,(H,16,19)
InChIKeyFTNTUFXHDRQQBT-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.70
Rot. Bonds6

About N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide

N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide (PubChem CID 24513704) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
PubChem CID24513704
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide
SMILESCCCCc1ccc(NC(=O)c2snnc2CC)cc1
InChIInChI=1S/C15H19N3OS/c1-3-5-6-11-7-9-12(10-8-11)16-15(19)14-13(4-2)17-18-20-14/h7-10H,3-6H2,1-2H3,(H,16,19)
InChIKeyFTNTUFXHDRQQBT-UHFFFAOYSA-N
XLogP3.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[4-[(4-ethylthiadiazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224561
4-ethyl-N-[4-(methylcarbamoyl)phenyl]thiadiazole-5-carboxamide
CID 30911801
4-ethyl-N-(3-ethylphenyl)thiadiazole-5-carboxamide
CID 9192445
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
4-ethyl-N-[4-(4-hydroxybut-1-ynyl)phenyl]thiadiazole-5-carboxamide
CID 65207857
4-ethyl-N-(4-phenylbutyl)thiadiazole-5-carboxamide
CID 24563625
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-(pyrimidin-2-ylsulfamoyl)phenyl]thiadiazole-5-carboxamide
CID 18584570
N-(3-amino-4-methoxyphenyl)-4-ethylthiadiazole-5-carboxamide
CID 65210172

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide (CID 24513704) is N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide is CCCCc1ccc(NC(=O)c2snnc2CC)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide?
The InChIKey is FTNTUFXHDRQQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-5-6-11-7-9-12(10-8-11)16-15(19)14-13(4-2)17-18-20-14/h7-10H,3-6H2,1-2H3,(H,16,19).
What are the key properties of N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide?
N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-ethylthiadiazole-5-carboxamide is sourced from PubChem (CID 24513704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).