N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide

C25H19N3O3S2 — CID 5199132

IUPACN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)c(OC)c1
InChIInChI=1S/C25H19N3O3S2/c1-30-15-9-10-17(22(12-15)31-2)21-14-33-25(27-21)28-24(29)18-13-20(23-8-5-11-32-23)26-19-7-4-3-6-16(18)19/h3-14H,1-2H3,(H,27,28,29)
InChIKeyYWDBYHUDPHQOOH-UHFFFAOYSA-N
MW473.58 g/mol
LogP6.36
Rot. Bonds6

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

N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (PubChem CID 5199132) has the molecular formula C25H19N3O3S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
PubChem CID5199132
Molecular FormulaC25H19N3O3S2
Molecular Weight473.58 g/mol
Exact Mass473.09
IUPAC NameN-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide
SMILESCOc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)c(OC)c1
InChIInChI=1S/C25H19N3O3S2/c1-30-15-9-10-17(22(12-15)31-2)21-14-33-25(27-21)28-24(29)18-13-20(23-8-5-11-32-23)26-19-7-4-3-6-16(18)19/h3-14H,1-2H3,(H,27,28,29)
InChIKeyYWDBYHUDPHQOOH-UHFFFAOYSA-N
XLogP6.36
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide (CID 5199132) is N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is COc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
The InChIKey is YWDBYHUDPHQOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3S2/c1-30-15-9-10-17(22(12-15)31-2)21-14-33-25(27-21)28-24(29)18-13-20(23-8-5-11-32-23)26-19-7-4-3-6-16(18)19/h3-14H,1-2H3,(H,27,28,29).
What are the key properties of N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide?
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 5199132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).