5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

C20H22F2N6OS — CID 58464877

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1
InChIInChI=1S/C20H22F2N6OS/c1-27-8-6-11(7-9-27)17-14(10-24-28(17)2)25-19(29)16-18(23)30-20(26-16)15-12(21)4-3-5-13(15)22/h3-5,10-11H,6-9,23H2,1-2H3,(H,25,29)
InChIKeyUWKVKWLSOMBHTE-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.47
Rot. Bonds4

About 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 58464877) has the molecular formula C20H22F2N6OS and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID58464877
Molecular FormulaC20H22F2N6OS
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1
InChIInChI=1S/C20H22F2N6OS/c1-27-8-6-11(7-9-27)17-14(10-24-28(17)2)25-19(29)16-18(23)30-20(26-16)15-12(21)4-3-5-13(15)22/h3-5,10-11H,6-9,23H2,1-2H3,(H,25,29)
InChIKeyUWKVKWLSOMBHTE-UHFFFAOYSA-N
XLogP3.47
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 58464877) is 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is CN1CCC(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is UWKVKWLSOMBHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6OS/c1-27-8-6-11(7-9-27)17-14(10-24-28(17)2)25-19(29)16-18(23)30-20(26-16)15-12(21)4-3-5-13(15)22/h3-5,10-11H,6-9,23H2,1-2H3,(H,25,29).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).