N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide

C12H10BrClFN3OS — CID 107612541

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H10BrClFN3OS/c1-2-3-9-11(20-18-17-9)12(19)16-10-7(13)4-6(15)5-8(10)14/h4-5H,2-3H2,1H3,(H,16,19)
InChIKeyJQCXOYXVZRKPFC-UHFFFAOYSA-N
MW378.65 g/mol
LogP4.30
Rot. Bonds4

About N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 107612541) has the molecular formula C12H10BrClFN3OS and a molecular weight of 378.65 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
PubChem CID107612541
Molecular FormulaC12H10BrClFN3OS
Molecular Weight378.65 g/mol
Exact Mass376.94
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C12H10BrClFN3OS/c1-2-3-9-11(20-18-17-9)12(19)16-10-7(13)4-6(15)5-8(10)14/h4-5H,2-3H2,1H3,(H,16,19)
InChIKeyJQCXOYXVZRKPFC-UHFFFAOYSA-N
XLogP4.30
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.65
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103874009
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206158
N-(2-amino-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide
CID 65206200
N-(2-bromo-6-chloro-4-fluorophenyl)-3,6-dichloropyridine-2-carboxamide
CID 103867824
N-(4-amino-3-methylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206399
4,5-dibromo-N-(2-bromo-6-chloro-4-fluorophenyl)thiophene-2-carboxamide
CID 107612502
N-(6-amino-2,3-dimethylphenyl)-4-propylthiadiazole-5-carboxamide
CID 65206061
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-6-ethylpyridine-4-carboxamide
CID 107616628
2-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylpropanamide
CID 107611878
5-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 107470670
[2-(2-bromo-4,6-difluoroanilino)-2-oxoethyl] 4-ethylthiadiazole-5-carboxylate
CID 55481469
N-(2,6-dichloro-4-fluorophenyl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 83079441

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide (CID 107612541) is N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is JQCXOYXVZRKPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClFN3OS/c1-2-3-9-11(20-18-17-9)12(19)16-10-7(13)4-6(15)5-8(10)14/h4-5H,2-3H2,1H3,(H,16,19).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 378.65 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 107612541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).