(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone

C15H13N3OS — CID 105121084

IUPAC(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
SMILESCCCc1nnsc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H13N3OS/c1-2-5-13-15(20-18-17-13)14(19)11-6-3-8-12-10(11)7-4-9-16-12/h3-4,6-9H,2,5H2,1H3
InChIKeyYDWORPCOLXWDHR-UHFFFAOYSA-N
MW283.36 g/mol
LogP3.27
Rot. Bonds4

About (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone

(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone (PubChem CID 105121084) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone.

Molecular Properties

Compound Name(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
PubChem CID105121084
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
SMILESCCCc1nnsc1C(=O)c1cccc2ncccc12
InChIInChI=1S/C15H13N3OS/c1-2-5-13-15(20-18-17-13)14(19)11-6-3-8-12-10(11)7-4-9-16-12/h3-4,6-9H,2,5H2,1H3
InChIKeyYDWORPCOLXWDHR-UHFFFAOYSA-N
XLogP3.27
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methylphenyl)-(4-propylthiadiazol-5-yl)methanone
CID 105080193
(3-methyl-2-pyridinyl)-quinolin-5-ylmethanone
CID 81220476
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
1-quinolin-5-ylhexan-1-one
CID 115789824
2,2,2-trifluoro-1-quinolin-5-ylethanone
CID 81220183
(4-propylphenyl)-quinolin-4-ylmethanone
CID 86811157
quinoline-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 69438515
(3-fluorophenyl)-quinolin-5-ylmethanone
CID 81216607
(2-fluoro-4-methylphenyl)-quinolin-5-ylmethanone
CID 115789842
(2-methyl-1,3-thiazol-4-yl)-quinolin-5-ylmethanone
CID 105121153
1-ethyl-3-(quinoline-5-carbonylamino)urea
CID 75417515
(3-methyltriazol-4-yl)-quinolin-5-ylmethanone
CID 105131406

Frequently Asked Questions

What is the IUPAC name of (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone?
The IUPAC name of (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone (CID 105121084) is (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone.
What is the SMILES notation for (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone?
The canonical SMILES for (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone is CCCc1nnsc1C(=O)c1cccc2ncccc12.
What is the InChIKey of (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone?
The InChIKey is YDWORPCOLXWDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-2-5-13-15(20-18-17-13)14(19)11-6-3-8-12-10(11)7-4-9-16-12/h3-4,6-9H,2,5H2,1H3.
What are the key properties of (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone?
(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone has a molecular weight of 283.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone is sourced from PubChem (CID 105121084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).