(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone

C14H15N3OS — CID 71933857

IUPAC(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCc1cc(C)c2c(c1)N(C(=O)c1csnn1)CCC2
InChIInChI=1S/C14H15N3OS/c1-9-6-10(2)11-4-3-5-17(13(11)7-9)14(18)12-8-19-16-15-12/h6-8H,3-5H2,1-2H3
InChIKeyCOGDBPSWWZSWSU-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.75
Rot. Bonds1

About (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone

(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone (PubChem CID 71933857) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone
PubChem CID71933857
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone
SMILESCc1cc(C)c2c(c1)N(C(=O)c1csnn1)CCC2
InChIInChI=1S/C14H15N3OS/c1-9-6-10(2)11-4-3-5-17(13(11)7-9)14(18)12-8-19-16-15-12/h6-8H,3-5H2,1-2H3
InChIKeyCOGDBPSWWZSWSU-UHFFFAOYSA-N
XLogP2.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone?
The IUPAC name of (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone (CID 71933857) is (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone.
What is the SMILES notation for (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone?
The canonical SMILES for (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone is Cc1cc(C)c2c(c1)N(C(=O)c1csnn1)CCC2.
What is the InChIKey of (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone?
The InChIKey is COGDBPSWWZSWSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-6-10(2)11-4-3-5-17(13(11)7-9)14(18)12-8-19-16-15-12/h6-8H,3-5H2,1-2H3.
What are the key properties of (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone?
(5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone has a molecular weight of 273.36 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-3,4-dihydro-2H-quinolin-1-yl)-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 71933857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).