5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

C20H18F3N5OS — CID 59455646

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCC(F)CC1
InChIInChI=1S/C20H18F3N5OS/c21-11-5-8-28(9-6-11)15-4-7-25-10-14(15)26-19(29)17-18(24)30-20(27-17)16-12(22)2-1-3-13(16)23/h1-4,7,10-11H,5-6,8-9,24H2,(H,26,29)
InChIKeyYGBSAWPBXPZQBM-UHFFFAOYSA-N
MW433.46 g/mol
LogP4.26
Rot. Bonds4

About 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 59455646) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID59455646
Molecular FormulaC20H18F3N5OS
Molecular Weight433.46 g/mol
Exact Mass433.12
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCC(F)CC1
InChIInChI=1S/C20H18F3N5OS/c21-11-5-8-28(9-6-11)15-4-7-25-10-14(15)26-19(29)17-18(24)30-20(27-17)16-12(22)2-1-3-13(16)23/h1-4,7,10-11H,5-6,8-9,24H2,(H,26,29)
InChIKeyYGBSAWPBXPZQBM-UHFFFAOYSA-N
XLogP4.26
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide (CID 59455646) is 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCC(F)CC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YGBSAWPBXPZQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c21-11-5-8-28(9-6-11)15-4-7-25-10-14(15)26-19(29)17-18(24)30-20(27-17)16-12(22)2-1-3-13(16)23/h1-4,7,10-11H,5-6,8-9,24H2,(H,26,29).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-(4-fluoropiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59455646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).