4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

C12H17BrN4S2 — CID 62183351

IUPAC4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrN4S2/c1-3-4-14-12-11(15-16-19-12)7-17(2)6-10-5-9(13)8-18-10/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyPRGFTMVKWGMPQM-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.82
Rot. Bonds7

About 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine

4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (PubChem CID 62183351) has the molecular formula C12H17BrN4S2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
PubChem CID62183351
Molecular FormulaC12H17BrN4S2
Molecular Weight361.33 g/mol
Exact Mass360.01
IUPAC Name4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1CN(C)Cc1cc(Br)cs1
InChIInChI=1S/C12H17BrN4S2/c1-3-4-14-12-11(15-16-19-12)7-17(2)6-10-5-9(13)8-18-10/h5,8,14H,3-4,6-7H2,1-2H3
InChIKeyPRGFTMVKWGMPQM-UHFFFAOYSA-N
XLogP3.82
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3-chlorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62183869
4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]-N-propylthiadiazol-5-amine
CID 62208773
4-[[(2-fluorophenyl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine
CID 62208073
4-[[methyl(2-methylbutan-2-yl)amino]methyl]-N-propylthiadiazol-5-amine
CID 63966703
2-methyl-3-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]propanenitrile
CID 62183362
N-ethyl-2-[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]acetamide
CID 62209620
4-[[methyl-[[5-(propylamino)thiadiazol-4-yl]methyl]amino]methyl]oxan-4-ol
CID 114953247
4-[[3,3-dimethylbutan-2-yl(methyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62181934
N-propyl-4-[(N,2,4-trimethylanilino)methyl]thiadiazol-5-amine
CID 62207883
N'-[(4-bromothiophen-2-yl)methyl]-N'-methyl-N-propylbutane-1,4-diamine
CID 62430992
4-[[butyl(ethyl)amino]methyl]-N-propylthiadiazol-5-amine
CID 62184460
4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine (CID 62183351) is 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1CN(C)Cc1cc(Br)cs1.
What is the InChIKey of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
The InChIKey is PRGFTMVKWGMPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S2/c1-3-4-14-12-11(15-16-19-12)7-17(2)6-10-5-9(13)8-18-10/h5,8,14H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine?
4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine has a molecular weight of 361.33 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 62183351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).