5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H20F2N6OS — CID 58464798

IUPAC5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1
InChIInChI=1S/C19H20F2N6OS/c1-27-16(10-5-7-23-8-6-10)13(9-24-27)25-18(28)15-17(22)29-19(26-15)14-11(20)3-2-4-12(14)21/h2-4,9-10,23H,5-8,22H2,1H3,(H,25,28)
InChIKeyLLQIYQUPTCRRAL-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.12
Rot. Bonds4

About 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 58464798) has the molecular formula C19H20F2N6OS and a molecular weight of 418.47 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID58464798
Molecular FormulaC19H20F2N6OS
Molecular Weight418.47 g/mol
Exact Mass418.14
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1
InChIInChI=1S/C19H20F2N6OS/c1-27-16(10-5-7-23-8-6-10)13(9-24-27)25-18(28)15-17(22)29-19(26-15)14-11(20)3-2-4-12(14)21/h2-4,9-10,23H,5-8,22H2,1H3,(H,25,28)
InChIKeyLLQIYQUPTCRRAL-UHFFFAOYSA-N
XLogP3.12
TPSA97.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
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-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 58464798) is 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCNCC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is LLQIYQUPTCRRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6OS/c1-27-16(10-5-7-23-8-6-10)13(9-24-27)25-18(28)15-17(22)29-19(26-15)14-11(20)3-2-4-12(14)21/h2-4,9-10,23H,5-8,22H2,1H3,(H,25,28).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-(1-methyl-5-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 418.47 g/mol, XLogP of 3.12, 4 rotatable bonds, 3 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-piperidin-4-ylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).