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

C20H18F3N5OS — CID 59455638

IUPACN-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC[C@H]1F
InChIInChI=1S/C20H18F3N5OS/c21-11-5-7-28(9-14(11)24)17-4-6-25-8-15(17)26-19(29)16-10-30-20(27-16)18-12(22)2-1-3-13(18)23/h1-4,6,8,10-11,14H,5,7,9,24H2,(H,26,29)/t11-,14-/m1/s1
InChIKeyQQRNXNZMTIFVNK-BXUZGUMPSA-N
MW433.46 g/mol
LogP3.61
Rot. Bonds4

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

N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 59455638) has the molecular formula C20H18F3N5OS and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID59455638
Molecular FormulaC20H18F3N5OS
Molecular Weight433.46 g/mol
Exact Mass433.12
IUPAC NameN-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESN[C@@H]1CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC[C@H]1F
InChIInChI=1S/C20H18F3N5OS/c21-11-5-7-28(9-14(11)24)17-4-6-25-8-15(17)26-19(29)16-10-30-20(27-16)18-12(22)2-1-3-13(18)23/h1-4,6,8,10-11,14H,5,7,9,24H2,(H,26,29)/t11-,14-/m1/s1
InChIKeyQQRNXNZMTIFVNK-BXUZGUMPSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 59455638) is N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is N[C@@H]1CN(c2ccncc2NC(=O)c2csc(-c3c(F)cccc3F)n2)CC[C@H]1F.
What is the InChIKey of N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QQRNXNZMTIFVNK-BXUZGUMPSA-N. The full InChI is InChI=1S/C20H18F3N5OS/c21-11-5-7-28(9-14(11)24)17-4-6-25-8-15(17)26-19(29)16-10-30-20(27-16)18-12(22)2-1-3-13(18)23/h1-4,6,8,10-11,14H,5,7,9,24H2,(H,26,29)/t11-,14-/m1/s1.
What are the key properties of N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 433.46 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3R,4R)-3-amino-4-fluoropiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59455638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).