N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

C16H17N3S — CID 105141684

IUPACN-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1cnsn1
InChIInChI=1S/C16H17N3S/c1-2-9-17-16(15-11-18-20-19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16-17H,2,9H2,1H3
InChIKeyXIRVXVUWNCUGTK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds5

About N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine

N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (PubChem CID 105141684) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
PubChem CID105141684
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1cnsn1
InChIInChI=1S/C16H17N3S/c1-2-9-17-16(15-11-18-20-19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16-17H,2,9H2,1H3
InChIKeyXIRVXVUWNCUGTK-UHFFFAOYSA-N
XLogP3.78
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[quinolin-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105097727
N-[1,2,5-thiadiazol-3-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141468
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105141634
N-[furan-3-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105146718
N-[2,3-dihydro-1-benzofuran-5-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105180181
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
N-[quinolin-8-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105172512
N-[(7-fluoro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186506
N-[(7-chloro-1-benzofuran-2-yl)-(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105186994
N-[(3,4-difluorophenyl)-(1,2,5-thiadiazol-3-yl)methyl]ethanamine
CID 105145630
N-[(3-bromofuran-2-yl)-naphthalen-2-ylmethyl]propan-1-amine
CID 63942460

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine (CID 105141684) is N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is CCCNC(c1ccc2ccccc2c1)c1cnsn1.
What is the InChIKey of N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
The InChIKey is XIRVXVUWNCUGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-9-17-16(15-11-18-20-19-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16-17H,2,9H2,1H3.
What are the key properties of N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine?
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine has a molecular weight of 283.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 105141684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).