N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

C15H13BrN4S — CID 133467109

IUPACN-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H13BrN4S/c1-20(10-11-5-7-12(16)8-6-11)15-19-18-14(21-15)13-4-2-3-9-17-13/h2-9H,10H2,1H3
InChIKeyMNBBVRZHMPEQBD-UHFFFAOYSA-N
MW361.27 g/mol
LogP4.00
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine

N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133467109) has the molecular formula C15H13BrN4S and a molecular weight of 361.27 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133467109
Molecular FormulaC15H13BrN4S
Molecular Weight361.27 g/mol
Exact Mass360.00
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(Br)cc1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H13BrN4S/c1-20(10-11-5-7-12(16)8-6-11)15-19-18-14(21-15)13-4-2-3-9-17-13/h2-9H,10H2,1H3
InChIKeyMNBBVRZHMPEQBD-UHFFFAOYSA-N
XLogP4.00
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467141
N-[(2,3-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467107
N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133454871
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133467116
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
2-methoxy-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 647177
1-(4-bromophenyl)-N-methyl-N-(pyridin-2-ylmethyl)methanamine
CID 60712627
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-benzyl-N,5-dimethyl-1,3,4-thiadiazol-2-amine
CID 58663770
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443347

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133467109) is N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(Cc1ccc(Br)cc1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is MNBBVRZHMPEQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4S/c1-20(10-11-5-7-12(16)8-6-11)15-19-18-14(21-15)13-4-2-3-9-17-13/h2-9H,10H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 361.27 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).