N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide

C13H14BrN3OS — CID 65205586

IUPACN-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H,15,18)
InChIKeyQQONTFSOUFBOLW-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.85
Rot. Bonds2

About N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide

N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide (PubChem CID 65205586) has the molecular formula C13H14BrN3OS and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
PubChem CID65205586
Molecular FormulaC13H14BrN3OS
Molecular Weight340.25 g/mol
Exact Mass339.00
IUPAC NameN-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide
SMILESCC(C)(C)c1nnsc1C(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C13H14BrN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H,15,18)
InChIKeyQQONTFSOUFBOLW-UHFFFAOYSA-N
XLogP3.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-4-(4-bromophenyl)thiadiazole-5-carboxamide
CID 100750993
N-[2-(1-bromoethyl)phenyl]-4-tert-butylthiadiazole-5-carboxamide
CID 114315653
4-(4-bromophenyl)-N-(4-carbamoylphenyl)thiadiazole-5-carboxamide
CID 100750972
2-[(4-tert-butylthiadiazole-5-carbonyl)amino]pyridine-3-carboxylic acid
CID 65205295
N-(4-bromophenyl)-4-(3-methoxyphenyl)thiadiazole-5-carboxamide
CID 100747027
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-(4-acetyl-1,3-thiazol-2-yl)-4-tert-butylthiadiazole-5-carboxamide
CID 65205330
N-(2-bromo-3-methylbutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 113492979
(4-bromothiophen-3-yl)-(4-tert-butylthiadiazol-5-yl)methanone
CID 105115982
N-(4-bromobutyl)-4-tert-butylthiadiazole-5-carboxamide
CID 106845798
N-[1-bromo-2-(bromomethyl)butan-2-yl]-4-tert-butylthiadiazole-5-carboxamide
CID 107868164

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide (CID 65205586) is N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide is CC(C)(C)c1nnsc1C(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide?
The InChIKey is QQONTFSOUFBOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OS/c1-13(2,3)11-10(19-17-16-11)12(18)15-9-6-4-8(14)5-7-9/h4-7H,1-3H3,(H,15,18).
What are the key properties of N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide?
N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-tert-butylthiadiazole-5-carboxamide is sourced from PubChem (CID 65205586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).