N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide

C21H17N3O3S — CID 24594548

IUPACN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc4ncccc34)n2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-13-8-9-19(27-2)16(11-13)18-12-28-21(23-18)24-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H,23,24,25)
InChIKeyOMNYDUHGYDDRDQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.63
Rot. Bonds5

About N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide (PubChem CID 24594548) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
PubChem CID24594548
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
SMILESCOc1ccc(OC)c(-c2csc(NC(=O)c3cccc4ncccc34)n2)c1
InChIInChI=1S/C21H17N3O3S/c1-26-13-8-9-19(27-2)16(11-13)18-12-28-21(23-18)24-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H,23,24,25)
InChIKeyOMNYDUHGYDDRDQ-UHFFFAOYSA-N
XLogP4.63
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-methylquinoline-4-carboxamide
CID 2102481
2,3-dichloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 26242208
2-N,6-N-bis[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyridine-2,6-dicarboxamide
CID 3422188
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55754430
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-ethylsulfonylbenzamide
CID 41028434
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 3914278
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27674807
N-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 112795524
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2-chloro-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-4,5-difluorobenzamide
CID 2114849
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 861937

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The IUPAC name of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide (CID 24594548) is N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide.
What is the SMILES notation for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The canonical SMILES for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide is COc1ccc(OC)c(-c2csc(NC(=O)c3cccc4ncccc34)n2)c1.
What is the InChIKey of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide?
The InChIKey is OMNYDUHGYDDRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-13-8-9-19(27-2)16(11-13)18-12-28-21(23-18)24-20(25)15-5-3-7-17-14(15)6-4-10-22-17/h3-12H,1-2H3,(H,23,24,25).
What are the key properties of N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide?
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]quinoline-5-carboxamide is sourced from PubChem (CID 24594548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).