N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine

C15H16N4OS — CID 103045654

IUPACN-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COc2cccc3ncccc23)s1
InChIInChI=1S/C15H16N4OS/c1-2-8-17-15-19-18-14(21-15)10-20-13-7-3-6-12-11(13)5-4-9-16-12/h3-7,9H,2,8,10H2,1H3,(H,17,19)
InChIKeyYXYUSIXDLFMNKA-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.49
Rot. Bonds6

About N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine

N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 103045654) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
PubChem CID103045654
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC NameN-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine
SMILESCCCNc1nnc(COc2cccc3ncccc23)s1
InChIInChI=1S/C15H16N4OS/c1-2-8-17-15-19-18-14(21-15)10-20-13-7-3-6-12-11(13)5-4-9-16-12/h3-7,9H,2,8,10H2,1H3,(H,17,19)
InChIKeyYXYUSIXDLFMNKA-UHFFFAOYSA-N
XLogP3.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine (CID 103045654) is N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine is CCCNc1nnc(COc2cccc3ncccc23)s1.
What is the InChIKey of N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is YXYUSIXDLFMNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-8-17-15-19-18-14(21-15)10-20-13-7-3-6-12-11(13)5-4-9-16-12/h3-7,9H,2,8,10H2,1H3,(H,17,19).
What are the key properties of N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine?
N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-5-(quinolin-5-yloxymethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 103045654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).