N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide

C15H18BrN3OS — CID 114315653

IUPACN-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H18BrN3OS/c1-9(16)10-7-5-6-8-11(10)17-14(20)12-13(15(2,3)4)18-19-21-12/h5-9H,1-4H3,(H,17,20)
InChIKeyLONUOWOUIVGJNX-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.54
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide

N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 114315653) has the molecular formula C15H18BrN3OS and a molecular weight of 368.30 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
PubChem CID114315653
Molecular FormulaC15H18BrN3OS
Molecular Weight368.30 g/mol
Exact Mass367.04
IUPAC NameN-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H18BrN3OS/c1-9(16)10-7-5-6-8-11(10)17-14(20)12-13(15(2,3)4)18-19-21-12/h5-9H,1-4H3,(H,17,20)
InChIKeyLONUOWOUIVGJNX-UHFFFAOYSA-N
XLogP4.54
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]thiadiazole-5-carboxamide
CID 99792709
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205586
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
N-(2-butan-2-ylphenyl)-4-methylthiadiazole-5-carboxamide
CID 45145420
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538
3-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyrazine-2-carboxylic acid
CID 65204891
N-(2-amino-2-methylpropyl)-4-tert-butylthiadiazole-5-carboxamide
CID 115303345
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
N-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205330

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide (CID 114315653) is N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide is CC(Br)c1ccccc1NC(=O)c1snnc1C(C)(C)C.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is LONUOWOUIVGJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3OS/c1-9(16)10-7-5-6-8-11(10)17-14(20)12-13(15(2,3)4)18-19-21-12/h5-9H,1-4H3,(H,17,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide?
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 368.30 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 114315653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).