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

C20H20F2N6OS — CID 67499805

IUPAC5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C20H20F2N6OS/c21-12-4-1-5-13(22)16(12)20-27-17(18(24)30-20)19(29)26-14-9-25-7-6-15(14)28-8-2-3-11(23)10-28/h1,4-7,9,11H,2-3,8,10,23-24H2,(H,26,29)
InChIKeyOXMLPWDSSOSNEW-UHFFFAOYSA-N
MW430.48 g/mol
LogP3.25
Rot. Bonds4

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

5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67499805) has the molecular formula C20H20F2N6OS and a molecular weight of 430.48 g/mol. Its IUPAC name is 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID67499805
Molecular FormulaC20H20F2N6OS
Molecular Weight430.48 g/mol
Exact Mass430.14
IUPAC Name5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCCC(N)C1
InChIInChI=1S/C20H20F2N6OS/c21-12-4-1-5-13(22)16(12)20-27-17(18(24)30-20)19(29)26-14-9-25-7-6-15(14)28-8-2-3-11(23)10-28/h1,4-7,9,11H,2-3,8,10,23-24H2,(H,26,29)
InChIKeyOXMLPWDSSOSNEW-UHFFFAOYSA-N
XLogP3.25
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[4-(3-aminopiperidin-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 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 67499805) is 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CCCC(N)C1.
What is the InChIKey of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OXMLPWDSSOSNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6OS/c21-12-4-1-5-13(22)16(12)20-27-17(18(24)30-20)19(29)26-14-9-25-7-6-15(14)28-8-2-3-11(23)10-28/h1,4-7,9,11H,2-3,8,10,23-24H2,(H,26,29).
What are the key properties of 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 430.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-(3-aminopiperidin-1-yl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67499805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).