N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine

C17H19N3S — CID 105141285

IUPACN-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cccc2ccccc12
InChIInChI=1S/C17H19N3S/c1-3-7-15-17(21-20-19-15)16(18-2)14-11-6-9-12-8-4-5-10-13(12)14/h4-6,8-11,16,18H,3,7H2,1-2H3
InChIKeyNDFLUKDLNSLXBR-UHFFFAOYSA-N
MW297.43 g/mol
LogP3.95
Rot. Bonds5

About N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine

N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105141285) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105141285
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC NameN-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)c1cccc2ccccc12
InChIInChI=1S/C17H19N3S/c1-3-7-15-17(21-20-19-15)16(18-2)14-11-6-9-12-8-4-5-10-13(12)14/h4-6,8-11,16,18H,3,7H2,1-2H3
InChIKeyNDFLUKDLNSLXBR-UHFFFAOYSA-N
XLogP3.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105189321
1-(2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105120034
1-(2,4-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105145197
N-[(4-methylthiadiazol-5-yl)-naphthalen-1-ylmethyl]ethanamine
CID 105141334
1-(2,5-difluorophenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105143808
isoquinolin-4-yl-(4-propylthiadiazol-5-yl)methanol
CID 105097636
N-methyl-1-(5-methylthiophen-2-yl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105161965
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
1-(4-methoxy-2,5-dimethylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105179011
1-(4-ethylthiadiazol-5-yl)-N-methyl-1-quinolin-3-ylmethanamine
CID 105097449
[(2,6-difluorophenyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105308059

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105141285) is N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)c1cccc2ccccc12.
What is the InChIKey of N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is NDFLUKDLNSLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-3-7-15-17(21-20-19-15)16(18-2)14-11-6-9-12-8-4-5-10-13(12)14/h4-6,8-11,16,18H,3,7H2,1-2H3.
What are the key properties of N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine?
N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 297.43 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-naphthalen-1-yl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105141285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).