5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

C12H17BrN4S2 — CID 80606208

IUPAC5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C12H17BrN4S2/c1-3-4-14-12-16-15-11(19-12)7-17(2)6-9-5-10(13)18-8-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeySWWCFVLAWMONGA-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.82
Rot. Bonds7

About 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine

5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 80606208) has the molecular formula C12H17BrN4S2 and a molecular weight of 361.33 g/mol. Its IUPAC name is 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID80606208
Molecular FormulaC12H17BrN4S2
Molecular Weight361.33 g/mol
Exact Mass360.01
IUPAC Name5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(CN(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C12H17BrN4S2/c1-3-4-14-12-16-15-11(19-12)7-17(2)6-9-5-10(13)18-8-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,16)
InChIKeySWWCFVLAWMONGA-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

1-(5-bromothiophen-3-yl)-N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80609531
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80607718
1-[methyl-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methyl]amino]propan-2-ol
CID 80606320
N-[(5-bromothiophen-3-yl)methyl]-N'-tert-butyl-N,2-dimethylpropane-1,3-diamine
CID 62462074
5-[[2-ethoxyethyl(methyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 81074660
5-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608157
N-[(5-bromothiophen-3-yl)methyl]-5-(ethylamino)-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80616948
5-[[benzyl(propan-2-yl)amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80611385
1-(4-bromothiophen-2-yl)-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylmethanamine
CID 80613669
N'-[(5-bromothiophen-3-yl)methyl]-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62557712
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 80608418

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine (CID 80606208) is 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is CCCNc1nnc(CN(C)Cc2csc(Br)c2)s1.
What is the InChIKey of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is SWWCFVLAWMONGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4S2/c1-3-4-14-12-16-15-11(19-12)7-17(2)6-9-5-10(13)18-8-9/h5,8H,3-4,6-7H2,1-2H3,(H,14,16).
What are the key properties of 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine?
5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-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 5-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 80606208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).