N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide

C24H22N2O4S — CID 36704502

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1OC
InChIInChI=1S/C24H22N2O4S/c1-26(15-17-11-7-12-18(28-2)21(17)29-3)24(27)22-20(16-9-5-4-6-10-16)25-23(31-22)19-13-8-14-30-19/h4-14H,15H2,1-3H3
InChIKeyRJZMNZBCVCYXFI-UHFFFAOYSA-N
MW434.52 g/mol
LogP5.36
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide

N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 36704502) has the molecular formula C24H22N2O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
PubChem CID36704502
Molecular FormulaC24H22N2O4S
Molecular Weight434.52 g/mol
Exact Mass434.13
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1OC
InChIInChI=1S/C24H22N2O4S/c1-26(15-17-11-7-12-18(28-2)21(17)29-3)24(27)22-20(16-9-5-4-6-10-16)25-23(31-22)19-13-8-14-30-19/h4-14H,15H2,1-3H3
InChIKeyRJZMNZBCVCYXFI-UHFFFAOYSA-N
XLogP5.36
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.52
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide (CID 36704502) is N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide is COc1cccc(CN(C)C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)c1OC.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is RJZMNZBCVCYXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4S/c1-26(15-17-11-7-12-18(28-2)21(17)29-3)24(27)22-20(16-9-5-4-6-10-16)25-23(31-22)19-13-8-14-30-19/h4-14H,15H2,1-3H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 434.52 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(furan-2-yl)-N-methyl-4-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 36704502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).