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

C9H7BrN4OS — CID 80616050

IUPAC5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN4OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H2,11,14)(H,12,15)
InChIKeyPEBBVBSIQKLSTC-UHFFFAOYSA-N
MW299.15 g/mol
LogP2.14
Rot. Bonds2

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

5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80616050) has the molecular formula C9H7BrN4OS and a molecular weight of 299.15 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80616050
Molecular FormulaC9H7BrN4OS
Molecular Weight299.15 g/mol
Exact Mass297.95
IUPAC Name5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESNc1nnc(C(=O)Nc2ccc(Br)cc2)s1
InChIInChI=1S/C9H7BrN4OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H2,11,14)(H,12,15)
InChIKeyPEBBVBSIQKLSTC-UHFFFAOYSA-N
XLogP2.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
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
5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112736233
5-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619134
5-amino-N-[4-bromo-2-(trifluoromethoxy)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 103193605
(4-bromophenyl)urea
CID 16074
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 58091502
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
2-bromo-N-(4-bromophenyl)-1,3-thiazole-5-carboxamide
CID 165118178
5-amino-N-(2,3-dichlorophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80619531

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80616050) is 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide is Nc1nnc(C(=O)Nc2ccc(Br)cc2)s1.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is PEBBVBSIQKLSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN4OS/c10-5-1-3-6(4-2-5)12-7(15)8-13-14-9(11)16-8/h1-4H,(H2,11,14)(H,12,15).
What are the key properties of 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 299.15 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80616050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).