2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol

C21H18N2O3S — CID 103597586

IUPAC2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3
InChIKeyHQNWMHVBMBBXPP-UHFFFAOYSA-N
MW378.45 g/mol
LogP5.06
Rot. Bonds4

About 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol

2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol (PubChem CID 103597586) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
PubChem CID103597586
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol
SMILESCOc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O
InChIInChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3
InChIKeyHQNWMHVBMBBXPP-UHFFFAOYSA-N
XLogP5.06
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylquinolin-4-yl)-4-phenyl-1,3-thiazole
CID 103597581
3-[2-(2-ethylsulfanyl-4-pyridinyl)-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597559
3-[2-[2-(diethylamino)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597418
3-[2-[2-(azocan-1-yl)-4-pyridinyl]-1,3-thiazol-4-yl]-2,6-dimethoxyphenol
CID 103597524
2-(2-methylquinolin-4-yl)-1,3-thiazole-4-carbaldehyde
CID 79235363
5-[2-(2,3-dimethoxyphenyl)-1,3-thiazol-4-yl]-3-methyl-1,2-oxazole
CID 122146031
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
2,3-dimethoxy-6-[4-(2-methyl-1,3-thiazol-4-yl)-1-phenylpyrazol-5-yl]phenol
CID 135553737
2-(2-methoxy-5-methylphenyl)-4-phenyl-1,3-thiazole
CID 142708637
2-bromo-4-(2,4-dimethoxy-3-methylphenyl)-1,3-thiazole
CID 116968047
2-methyl-4-thiophen-2-ylquinoline
CID 11746306
3-(2-methylquinolin-4-yl)-1,2,4-thiadiazol-5-amine
CID 79235359

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The IUPAC name of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol (CID 103597586) is 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol.
What is the SMILES notation for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The canonical SMILES for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol is COc1ccc(-c2csc(-c3cc(C)nc4ccccc34)n2)c(OC)c1O.
What is the InChIKey of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
The InChIKey is HQNWMHVBMBBXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-12-10-15(13-6-4-5-7-16(13)22-12)21-23-17(11-27-21)14-8-9-18(25-2)19(24)20(14)26-3/h4-11,24H,1-3H3.
What are the key properties of 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol?
2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol has a molecular weight of 378.45 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-3-[2-(2-methylquinolin-4-yl)-1,3-thiazol-4-yl]phenol is sourced from PubChem (CID 103597586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).