6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid

C20H17F2N5O3S — CID 22019175

IUPAC6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)n1
InChIInChI=1S/C20H17F2N5O3S/c21-13-7-14(22)16(6-12(13)18(28)25-10-4-5-10)23-8-11-9-24-20(31-11)27-17-3-1-2-15(26-17)19(29)30/h1-3,6-7,9-10,23H,4-5,8H2,(H,25,28)(H,29,30)(H,24,26,27)
InChIKeyKXUWFZLVVABOEN-UHFFFAOYSA-N
MW445.45 g/mol
LogP3.76
Rot. Bonds8

About 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid

6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid (PubChem CID 22019175) has the molecular formula C20H17F2N5O3S and a molecular weight of 445.45 g/mol. Its IUPAC name is 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid
PubChem CID22019175
Molecular FormulaC20H17F2N5O3S
Molecular Weight445.45 g/mol
Exact Mass445.10
IUPAC Name6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)n1
InChIInChI=1S/C20H17F2N5O3S/c21-13-7-14(22)16(6-12(13)18(28)25-10-4-5-10)23-8-11-9-24-20(31-11)27-17-3-1-2-15(26-17)19(29)30/h1-3,6-7,9-10,23H,4-5,8H2,(H,25,28)(H,29,30)(H,24,26,27)
InChIKeyKXUWFZLVVABOEN-UHFFFAOYSA-N
XLogP3.76
TPSA116.24 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.45
LogP ≤ 53.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid with MolForge

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Related Compounds

2,4-difluoro-N-methyl-5-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 9799758
N-cyclopentyl-4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11509810
4-fluoro-N-methyl-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11595595
N-cyclopropyl-2,4-difluoro-5-((2-(pyridin-2-ylamino)thiazol-5-yl)methylamino)benzamide
CID 11632737
N-cyclopropyl-4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11639559
N-benzyl-4-fluoro-3-((2-(pyridin-2-ylamino)thiazol-5-ylmethyl)amino)benzamide
CID 11711734
3-(4-Pyrid-4-ylthiazol-2-ylamino)benzoic acid
CID 2866632
3-[[4-Methyl-1-[(2-piperidin-1-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 142463576
US20250145606, Example 111
CID 176306707
US20250145606, Example 113
CID 176306932
6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]-N-piperidin-4-ylpyridine-3-carboxamide
CID 22019052
4-Fluoro-3-{[2-(pyridin-2-ylamino)-thiazol-5-ylmethyl]-amino}-benzoic acid
CID 22019056

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid (CID 22019175) is 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid is O=C(O)c1cccc(Nc2ncc(CNc3cc(C(=O)NC4CC4)c(F)cc3F)s2)n1.
What is the InChIKey of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is KXUWFZLVVABOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N5O3S/c21-13-7-14(22)16(6-12(13)18(28)25-10-4-5-10)23-8-11-9-24-20(31-11)27-17-3-1-2-15(26-17)19(29)30/h1-3,6-7,9-10,23H,4-5,8H2,(H,25,28)(H,29,30)(H,24,26,27).
What are the key properties of 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid?
6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 445.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[[5-(cyclopropylcarbamoyl)-2,4-difluoroanilino]methyl]-1,3-thiazol-2-yl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 22019175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).