N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C15H16ClN3OS — CID 105185696

IUPACN-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)c1snnc1C
InChIInChI=1S/C15H16ClN3OS/c1-3-6-17-14(15-9(2)18-19-21-15)13-8-10-7-11(16)4-5-12(10)20-13/h4-5,7-8,14,17H,3,6H2,1-2H3
InChIKeyJTONRIHQVLOAIN-UHFFFAOYSA-N
MW321.83 g/mol
LogP4.34
Rot. Bonds5

About N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105185696) has the molecular formula C15H16ClN3OS and a molecular weight of 321.83 g/mol. Its IUPAC name is N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105185696
Molecular FormulaC15H16ClN3OS
Molecular Weight321.83 g/mol
Exact Mass321.07
IUPAC NameN-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cc2cc(Cl)ccc2o1)c1snnc1C
InChIInChI=1S/C15H16ClN3OS/c1-3-6-17-14(15-9(2)18-19-21-15)13-8-10-7-11(16)4-5-12(10)20-13/h4-5,7-8,14,17H,3,6H2,1-2H3
InChIKeyJTONRIHQVLOAIN-UHFFFAOYSA-N
XLogP4.34
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.83
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-bromothiophen-2-yl)-(5-chloro-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045794
1-(5-chloro-1-benzofuran-2-yl)-3-methyl-N-propylpentan-1-amine
CID 105045883
N-[2-(2,4-dichlorophenyl)-1-(4-methylthiadiazol-5-yl)ethyl]propan-1-amine
CID 105132701
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
N-[(1S)-1-(5-chloro-1-benzofuran-2-yl)ethyl]-4-methylthiadiazole-5-carboxamide
CID 100678074
1-(5-chloro-1-benzofuran-2-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105185639
N-[(3-bromo-2,6-difluorophenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 106944775
1-(5-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-propylpropan-1-amine
CID 105045970
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
N-[(7-methyl-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]ethanamine
CID 105185529
N-[(5-chloro-1-benzofuran-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 105045894
3-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-1-amine
CID 114735577

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 105185696) is N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cc2cc(Cl)ccc2o1)c1snnc1C.
What is the InChIKey of N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is JTONRIHQVLOAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3OS/c1-3-6-17-14(15-9(2)18-19-21-15)13-8-10-7-11(16)4-5-12(10)20-13/h4-5,7-8,14,17H,3,6H2,1-2H3.
What are the key properties of N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 321.83 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1-benzofuran-2-yl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105185696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).