N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

C14H16BrN3OS — CID 81290411

IUPACN-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H16BrN3OS/c1-4-9-7-10(15)5-6-11(9)16-14(19)13-12(8(2)3)17-18-20-13/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyONORFXMQVKTBTR-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.24
Rot. Bonds4

About N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide

N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 81290411) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID81290411
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1snnc1C(C)C
InChIInChI=1S/C14H16BrN3OS/c1-4-9-7-10(15)5-6-11(9)16-14(19)13-12(8(2)3)17-18-20-13/h5-8H,4H2,1-3H3,(H,16,19)
InChIKeyONORFXMQVKTBTR-UHFFFAOYSA-N
XLogP4.24
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-carbamothioylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 82694099
N-(4-amino-2-bromophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65206995
N-(4-fluoro-2-iodophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 79766714
2-(5-bromo-2-methoxyphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanone
CID 105083649
5-amino-2-[(4-propan-2-ylthiadiazole-5-carbonyl)amino]benzoic acid
CID 65206662
N-(3-bromo-4-fluorophenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 104779437
N-(2-amino-5-methoxyphenyl)-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204688
4-(4-bromophenyl)-N-(2-ethylphenyl)thiadiazole-5-carboxamide
CID 100750626
N-(4-bromo-2-ethylphenyl)-3-methoxythiophene-2-carboxamide
CID 81003488
N-(4-bromo-2-ethylphenyl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119727073
N-[3-(hydroxymethyl)phenyl]-4-propan-2-ylthiadiazole-5-carboxamide
CID 65204481
N-(4-bromo-2-ethylphenyl)thiophene-3-carboxamide
CID 81003337

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide (CID 81290411) is N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is CCc1cc(Br)ccc1NC(=O)c1snnc1C(C)C.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is ONORFXMQVKTBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-4-9-7-10(15)5-6-11(9)16-14(19)13-12(8(2)3)17-18-20-13/h5-8H,4H2,1-3H3,(H,16,19).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide?
N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 81290411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).