5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide

C10H6BrN5OS — CID 112736233

IUPAC5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nnc(N)s2)cc1Br
InChIInChI=1S/C10H6BrN5OS/c11-7-3-6(2-1-5(7)4-12)14-8(17)9-15-16-10(13)18-9/h1-3H,(H2,13,16)(H,14,17)
InChIKeyXOGSHSAHMFIRGQ-UHFFFAOYSA-N
MW324.16 g/mol
LogP2.01
Rot. Bonds2

About 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide

5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 112736233) has the molecular formula C10H6BrN5OS and a molecular weight of 324.16 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID112736233
Molecular FormulaC10H6BrN5OS
Molecular Weight324.16 g/mol
Exact Mass322.95
IUPAC Name5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESN#Cc1ccc(NC(=O)c2nnc(N)s2)cc1Br
InChIInChI=1S/C10H6BrN5OS/c11-7-3-6(2-1-5(7)4-12)14-8(17)9-15-16-10(13)18-9/h1-3H,(H2,13,16)(H,14,17)
InChIKeyXOGSHSAHMFIRGQ-UHFFFAOYSA-N
XLogP2.01
TPSA104.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.16
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 107578608
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
2-amino-N-(3-bromo-4-cyanophenyl)-3-cyclopropylpropanamide
CID 112736075
3-amino-5-bromo-N-(3,4-dicyanophenyl)benzamide
CID 107786866
4-(3-bromo-4-cyanoanilino)benzoic acid
CID 107275336
N-(4-amino-3-bromophenyl)-4-cyanobenzamide
CID 82861639
5-amino-N-(2-chloro-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617284
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 113445673

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 112736233) is 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide is N#Cc1ccc(NC(=O)c2nnc(N)s2)cc1Br.
What is the InChIKey of 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is XOGSHSAHMFIRGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN5OS/c11-7-3-6(2-1-5(7)4-12)14-8(17)9-15-16-10(13)18-9/h1-3H,(H2,13,16)(H,14,17).
What are the key properties of 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 324.16 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 112736233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).