5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H9BrN4S — CID 135395559

IUPAC5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2cccnc2Br)s1
InChIInChI=1S/C9H9BrN4S/c1-14(2)9-13-12-8(15-9)6-4-3-5-11-7(6)10/h3-5H,1-2H3
InChIKeyLTYPUJGQMVBAMN-UHFFFAOYSA-N
MW285.17 g/mol
LogP2.43
Rot. Bonds2

About 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 135395559) has the molecular formula C9H9BrN4S and a molecular weight of 285.17 g/mol. Its IUPAC name is 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID135395559
Molecular FormulaC9H9BrN4S
Molecular Weight285.17 g/mol
Exact Mass283.97
IUPAC Name5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2cccnc2Br)s1
InChIInChI=1S/C9H9BrN4S/c1-14(2)9-13-12-8(15-9)6-4-3-5-11-7(6)10/h3-5H,1-2H3
InChIKeyLTYPUJGQMVBAMN-UHFFFAOYSA-N
XLogP2.43
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-bromo-3-pyridinyl)-5-fluoro-1,3,4-thiadiazole
CID 135396931
2-bromo-5-(2-methoxy-3-pyridinyl)-1,3,4-thiadiazole
CID 63383673
5-(2-bromo-3-pyridinyl)-3H-1,3,4-thiadiazol-2-one
CID 135397435
5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396830
5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 82476029
N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467109
2-(2-chloro-3-pyridinyl)-5-methyl-1,3,4-thiadiazole
CID 137347506
N-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 82452060
2-chloro-5-(2-chloro-3-pyridinyl)-1,3,4-thiadiazole
CID 135396419
N-methyl-N-[5-(2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 1444705
5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82482135

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 135395559) is 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(-c2cccnc2Br)s1.
What is the InChIKey of 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LTYPUJGQMVBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4S/c1-14(2)9-13-12-8(15-9)6-4-3-5-11-7(6)10/h3-5H,1-2H3.
What are the key properties of 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 285.17 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135395559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).