N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine

C16H17N3S — CID 105141634

IUPACN-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1csnn1
InChIInChI=1S/C16H17N3S/c1-2-9-17-16(15-11-20-19-18-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16-17H,2,9H2,1H3
InChIKeyCZORGKMBPKGJGK-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.78
Rot. Bonds5

About N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine

N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine (PubChem CID 105141634) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
PubChem CID105141634
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc2ccccc2c1)c1csnn1
InChIInChI=1S/C16H17N3S/c1-2-9-17-16(15-11-20-19-18-15)14-8-7-12-5-3-4-6-13(12)10-14/h3-8,10-11,16-17H,2,9H2,1H3
InChIKeyCZORGKMBPKGJGK-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-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339
N-[(4-methoxyphenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105095117
N-[(4-fluorophenyl)-(thiadiazol-4-yl)methyl]propan-1-amine
CID 105087955
N-[thiadiazol-4-yl-[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105141421
N-[naphthalen-2-yl(pyridin-2-yl)methyl]propan-1-amine
CID 62790514
N-[thiadiazol-4-yl-[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 105142581
N-[naphthalen-2-yl(1,2,5-thiadiazol-3-yl)methyl]propan-1-amine
CID 105141684
N-[naphthalen-2-yl(pyrimidin-2-yl)methyl]propan-1-amine
CID 62790717
3-naphthalen-2-yl-N-propylbutan-2-amine
CID 66437220
2-naphthalen-2-yl-2-(propylamino)acetic acid
CID 43754123
N-propyl-1-(thiadiazol-4-yl)propan-1-amine
CID 105078585
2,2-dimethyl-1-naphthalen-2-yl-N-propylpropan-1-amine
CID 63413588

Frequently Asked Questions

What is the IUPAC name of N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine (CID 105141634) is N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine is CCCNC(c1ccc2ccccc2c1)c1csnn1.
What is the InChIKey of N-[naphthalen-2-yl(thiadiazol-4-yl)methyl]propan-1-amine?
The InChIKey is CZORGKMBPKGJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-2-9-17-16(15-11-20-19-18-15)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(thiadiazol-4-yl)methyl]propan-1-amine?
N-[naphthalen-2-yl(thiadiazol-4-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(thiadiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 105141634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).