4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine

C12H15BrN4S — CID 62208650

IUPAC4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3
InChIKeyUMKFLVJAUZULOU-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.97
Rot. Bonds5

About 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine

4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine (PubChem CID 62208650) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
PubChem CID62208650
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
SMILESCNc1snnc1CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C12H15BrN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3
InChIKeyUMKFLVJAUZULOU-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
N-methyl-4-[[methyl(propyl)amino]methyl]thiadiazol-5-amine
CID 62183083
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
N-methyl-4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]thiadiazol-5-amine
CID 62209431
N-methyl-2-[methyl-[[5-(methylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62183804
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
CID 47013669
N-methyl-4-[[methyl(pentan-3-yl)amino]methyl]thiadiazol-5-amine
CID 62184537
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183351
5-bromo-1-[[5-(methylamino)thiadiazol-4-yl]methyl]pyridin-2-one
CID 62207647
4-[(3-bromophenyl)methoxymethyl]-N-methylthiadiazol-5-amine
CID 82832358
3-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylaniline
CID 115212240

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The IUPAC name of 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine (CID 62208650) is 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The canonical SMILES for 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine is CNc1snnc1CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
The InChIKey is UMKFLVJAUZULOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c1-14-12-11(15-16-18-12)8-17(2)7-9-3-5-10(13)6-4-9/h3-6,14H,7-8H2,1-2H3.
What are the key properties of 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine?
4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine has a molecular weight of 327.25 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine is sourced from PubChem (CID 62208650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).