N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine

C15H17N3S2 — CID 166314412

IUPACN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)N(C)Cc1ccc2nsnc2c1
InChIInChI=1S/C15H17N3S2/c1-11(7-13-5-6-19-10-13)18(2)9-12-3-4-14-15(8-12)17-20-16-14/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyZLBSPUJDQWHXOM-UHFFFAOYSA-N
MW303.46 g/mol
LogP3.82
Rot. Bonds5

About N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine

N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine (PubChem CID 166314412) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
PubChem CID166314412
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC NameN-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine
SMILESCC(Cc1ccsc1)N(C)Cc1ccc2nsnc2c1
InChIInChI=1S/C15H17N3S2/c1-11(7-13-5-6-19-10-13)18(2)9-12-3-4-14-15(8-12)17-20-16-14/h3-6,8,10-11H,7,9H2,1-2H3
InChIKeyZLBSPUJDQWHXOM-UHFFFAOYSA-N
XLogP3.82
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,1,3-Benzothiadiazole, 5-(2-thiazolidinyl)-
CID 3054699
5-(Thiophen-2-ylsulfanylmethyl)-2,1,3-benzoxadiazole
CID 2821722
4-Thiophen-2-yl-2,1,3-benzothiadiazole
CID 58113113
4-(5-Thiophen-2-ylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 396295
5-(5-Methylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 58838905
Di(thiophen-2-yl)benzo[c][1,2,5]thiadiazole
CID 71186474
4,5-Bis(2,5-dimethylthiophen-3-yl)-2,1,3-benzothiadiazole
CID 102165882
(3S)-N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-ethyl-1,1-dioxothiolan-3-amine
CID 96390483
5,6-Difluoro-4-(5-hexylthiophen-2-yl)-2,1,3-benzothiadiazole
CID 122207509
6-(3-Dodecylthiophen-2-yl)-5-fluoro-2,1,3-benzothiadiazole
CID 139532232
4-(5-Dodecylthiophen-2-yl)-6-fluoro-2,1,3-benzothiadiazole
CID 139532233
6-fluoro-4-(2-hexyl-5-thiophen-2-yl-3H-thiophen-2-yl)-2,1,3-benzothiadiazole
CID 149158806

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine?
The IUPAC name of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine (CID 166314412) is N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine?
The canonical SMILES for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine is CC(Cc1ccsc1)N(C)Cc1ccc2nsnc2c1.
What is the InChIKey of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine?
The InChIKey is ZLBSPUJDQWHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-11(7-13-5-6-19-10-13)18(2)9-12-3-4-14-15(8-12)17-20-16-14/h3-6,8,10-11H,7,9H2,1-2H3.
What are the key properties of N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine?
N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine has a molecular weight of 303.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzothiadiazol-5-ylmethyl)-N-methyl-1-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 166314412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).