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

C18H19F2N7OS — CID 53482276

IUPAC5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1
InChIInChI=1S/C18H19F2N7OS/c19-10-4-1-5-11(20)13(10)18-25-14(15(22)29-18)17(28)24-12-7-23-26-16(12)27-6-2-3-9(21)8-27/h1,4-5,7,9H,2-3,6,8,21-22H2,(H,23,26)(H,24,28)/t9-/m0/s1
InChIKeyNVTPYRCDKQXUGU-VIFPVBQESA-N
MW419.46 g/mol
LogP2.57
Rot. Bonds4

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

5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 53482276) has the molecular formula C18H19F2N7OS and a molecular weight of 419.46 g/mol. Its IUPAC name is 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID53482276
Molecular FormulaC18H19F2N7OS
Molecular Weight419.46 g/mol
Exact Mass419.13
IUPAC Name5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1
InChIInChI=1S/C18H19F2N7OS/c19-10-4-1-5-11(20)13(10)18-25-14(15(22)29-18)17(28)24-12-7-23-26-16(12)27-6-2-3-9(21)8-27/h1,4-5,7,9H,2-3,6,8,21-22H2,(H,23,26)(H,24,28)/t9-/m0/s1
InChIKeyNVTPYRCDKQXUGU-VIFPVBQESA-N
XLogP2.57
TPSA125.95 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-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-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 53482276) is 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cn[nH]c1N1CCC[C@H](N)C1.
What is the InChIKey of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NVTPYRCDKQXUGU-VIFPVBQESA-N. The full InChI is InChI=1S/C18H19F2N7OS/c19-10-4-1-5-11(20)13(10)18-25-14(15(22)29-18)17(28)24-12-7-23-26-16(12)27-6-2-3-9(21)8-27/h1,4-5,7,9H,2-3,6,8,21-22H2,(H,23,26)(H,24,28)/t9-/m0/s1.
What are the key properties of 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 419.46 g/mol, XLogP of 2.57, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-[(3S)-3-aminopiperidin-1-yl]-1H-pyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53482276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).