4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole

C19H22N4S — CID 133391264

IUPAC4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc2ccccc2nc1N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C19H22N4S/c1-13-12-16-6-4-5-7-17(16)21-18(13)22-8-10-23(11-9-22)19-20-14(2)15(3)24-19/h4-7,12H,8-11H2,1-3H3
InChIKeyPBLWAXMTTBTCIX-UHFFFAOYSA-N
MW338.48 g/mol
LogP3.94
Rot. Bonds2

About 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole

4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole (PubChem CID 133391264) has the molecular formula C19H22N4S and a molecular weight of 338.48 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
PubChem CID133391264
Molecular FormulaC19H22N4S
Molecular Weight338.48 g/mol
Exact Mass338.16
IUPAC Name4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole
SMILESCc1cc2ccccc2nc1N1CCN(c2nc(C)c(C)s2)CC1
InChIInChI=1S/C19H22N4S/c1-13-12-16-6-4-5-7-17(16)21-18(13)22-8-10-23(11-9-22)19-20-14(2)15(3)24-19/h4-7,12H,8-11H2,1-3H3
InChIKeyPBLWAXMTTBTCIX-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-2-(4-quinazolin-4-ylpiperazin-1-yl)-1,3-thiazole
CID 133391255
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]ethanone
CID 110644990
4,5-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 171335410
1-[4-(3-methylquinolin-2-yl)piperazin-1-yl]pentan-1-one
CID 110644995
2-(4,4-difluoroazepan-1-yl)-3-methylquinoline
CID 170369363
2-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-3-methylquinoline
CID 110645042
3-methyl-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]quinoline
CID 166225630
[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 110741653
(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
2-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-3-methylquinoline
CID 110420550
5-methyl-3-[1-(3-methylquinolin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 75384063
2-(4-chloro-3-methylpiperidin-1-yl)-3-methylquinoline
CID 114682615

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole (CID 133391264) is 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole is Cc1cc2ccccc2nc1N1CCN(c2nc(C)c(C)s2)CC1.
What is the InChIKey of 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole?
The InChIKey is PBLWAXMTTBTCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4S/c1-13-12-16-6-4-5-7-17(16)21-18(13)22-8-10-23(11-9-22)19-20-14(2)15(3)24-19/h4-7,12H,8-11H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole?
4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole has a molecular weight of 338.48 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(3-methylquinolin-2-yl)piperazin-1-yl]-1,3-thiazole is sourced from PubChem (CID 133391264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).