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

C10H9BrN4OS — CID 107578608

IUPAC5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2nnc(N)s2)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-2-6(11)4-7(3-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyFDYQHKRLANEAOM-UHFFFAOYSA-N
MW313.18 g/mol
LogP2.44
Rot. Bonds2

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

5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 107578608) has the molecular formula C10H9BrN4OS and a molecular weight of 313.18 g/mol. Its IUPAC name is 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID107578608
Molecular FormulaC10H9BrN4OS
Molecular Weight313.18 g/mol
Exact Mass311.97
IUPAC Name5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCc1cc(Br)cc(NC(=O)c2nnc(N)s2)c1
InChIInChI=1S/C10H9BrN4OS/c1-5-2-6(11)4-7(3-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H2,12,15)(H,13,16)
InChIKeyFDYQHKRLANEAOM-UHFFFAOYSA-N
XLogP2.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-bromo-5-methylphenyl)-5-(methylamino)-1,3,4-thiadiazole-2-carboxamide
CID 107578585
5-amino-N-(3-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616226
5-amino-N-(4-bromophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616050
5-amino-N-(4-bromo-2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618601
5-amino-N-(4-methyl-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80616238
2-amino-N-(3-bromo-5-methylphenyl)-1,3-benzothiazole-6-carboxamide
CID 107583466
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
5-amino-N-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 113445673
5-amino-N-(3-bromo-4-cyanophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 112736233
N-(3-bromo-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 84542762
N-(3-bromo-5-methylphenyl)thiadiazole-5-carboxamide
CID 104938594
5-amino-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 58091502

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 107578608) is 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is Cc1cc(Br)cc(NC(=O)c2nnc(N)s2)c1.
What is the InChIKey of 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FDYQHKRLANEAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4OS/c1-5-2-6(11)4-7(3-5)13-8(16)9-14-15-10(12)17-9/h2-4H,1H3,(H2,12,15)(H,13,16).
What are the key properties of 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 313.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-bromo-5-methylphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 107578608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).