2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole

C19H19N3S — CID 141121633

IUPAC2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole
SMILESCC1(C)CCc2ccc(-c3ncc(-c4cccnc4)s3)nc2C1
InChIInChI=1S/C19H19N3S/c1-19(2)8-7-13-5-6-15(22-16(13)10-19)18-21-12-17(23-18)14-4-3-9-20-11-14/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyIAHHYVPAOKTESQ-UHFFFAOYSA-N
MW321.45 g/mol
LogP4.78
Rot. Bonds2

About 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole

2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole (PubChem CID 141121633) has the molecular formula C19H19N3S and a molecular weight of 321.45 g/mol. Its IUPAC name is 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole
PubChem CID141121633
Molecular FormulaC19H19N3S
Molecular Weight321.45 g/mol
Exact Mass321.13
IUPAC Name2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole
SMILESCC1(C)CCc2ccc(-c3ncc(-c4cccnc4)s3)nc2C1
InChIInChI=1S/C19H19N3S/c1-19(2)8-7-13-5-6-15(22-16(13)10-19)18-21-12-17(23-18)14-4-3-9-20-11-14/h3-6,9,11-12H,7-8,10H2,1-2H3
InChIKeyIAHHYVPAOKTESQ-UHFFFAOYSA-N
XLogP4.78
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole (CID 141121633) is 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole is CC1(C)CCc2ccc(-c3ncc(-c4cccnc4)s3)nc2C1.
What is the InChIKey of 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole?
The InChIKey is IAHHYVPAOKTESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3S/c1-19(2)8-7-13-5-6-15(22-16(13)10-19)18-21-12-17(23-18)14-4-3-9-20-11-14/h3-6,9,11-12H,7-8,10H2,1-2H3.
What are the key properties of 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole?
2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole has a molecular weight of 321.45 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7-dimethyl-6,8-dihydro-5H-quinolin-2-yl)-5-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 141121633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).