N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

C23H19FN4O2S — CID 154695371

IUPACN-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(/C=C/c2csc(NC(=O)c3cccn3Cc3ccncc3)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-30-19-7-5-17(20(24)13-19)4-6-18-15-31-23(26-18)27-22(29)21-3-2-12-28(21)14-16-8-10-25-11-9-16/h2-13,15H,14H2,1H3,(H,26,27,29)/b6-4+
InChIKeyXMZDDHXFBXMHMQ-GQCTYLIASA-N
MW434.50 g/mol
LogP4.96
Rot. Bonds7

About N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide

N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (PubChem CID 154695371) has the molecular formula C23H19FN4O2S and a molecular weight of 434.50 g/mol. Its IUPAC name is N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
PubChem CID154695371
Molecular FormulaC23H19FN4O2S
Molecular Weight434.50 g/mol
Exact Mass434.12
IUPAC NameN-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
SMILESCOc1ccc(/C=C/c2csc(NC(=O)c3cccn3Cc3ccncc3)n2)c(F)c1
InChIInChI=1S/C23H19FN4O2S/c1-30-19-7-5-17(20(24)13-19)4-6-18-15-31-23(26-18)27-22(29)21-3-2-12-28(21)14-16-8-10-25-11-9-16/h2-13,15H,14H2,1H3,(H,26,27,29)/b6-4+
InChIKeyXMZDDHXFBXMHMQ-GQCTYLIASA-N
XLogP4.96
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-(4-(pyridin-4-yl)thiazol-2-yl)acetamide
CID 2123970
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
3,5-dimethoxy-N-(4-(pyridin-2-yl)thiazol-2-yl)benzamide
CID 2660457
3-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 5121654
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-4-[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]phenoxy]benzamide
CID 5143831
N-[4-(2-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 24832008
N-[4-(2,6-dimethyl-4-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-2-fluoropyridine-4-carboxamide
CID 53386881
N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 53389631
N-(4-(4-(4-methoxybenzyl)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
CID 53389652
N-[4-[4-(4-fluorophenoxy)-2,6-dimethylphenyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 58442402
N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901592
2-fluoro-N-[4-(4-methoxy-2,6-dimethylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901624

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide (CID 154695371) is N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is COc1ccc(/C=C/c2csc(NC(=O)c3cccn3Cc3ccncc3)n2)c(F)c1.
What is the InChIKey of N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is XMZDDHXFBXMHMQ-GQCTYLIASA-N. The full InChI is InChI=1S/C23H19FN4O2S/c1-30-19-7-5-17(20(24)13-19)4-6-18-15-31-23(26-18)27-22(29)21-3-2-12-28(21)14-16-8-10-25-11-9-16/h2-13,15H,14H2,1H3,(H,26,27,29)/b6-4+.
What are the key properties of N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide?
N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(2-fluoro-4-methoxyphenyl)ethenyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 154695371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).