5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide

C20H23F2N7OS — CID 71539920

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C
InChIInChI=1S/C20H23F2N7OS/c1-3-11-9-24-7-8-29(11)20-14(10-25-28(20)2)26-18(30)16-17(23)31-19(27-16)15-12(21)5-4-6-13(15)22/h4-6,10-11,24H,3,7-9,23H2,1-2H3,(H,26,30)/t11-/m0/s1
InChIKeySZSQLJJHVZIVBP-NSHDSACASA-N
MW447.52 g/mol
LogP2.84
Rot. Bonds5

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

5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71539920) has the molecular formula C20H23F2N7OS and a molecular weight of 447.52 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID71539920
Molecular FormulaC20H23F2N7OS
Molecular Weight447.52 g/mol
Exact Mass447.17
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C
InChIInChI=1S/C20H23F2N7OS/c1-3-11-9-24-7-8-29(11)20-14(10-25-28(20)2)26-18(30)16-17(23)31-19(27-16)15-12(21)5-4-6-13(15)22/h4-6,10-11,24H,3,7-9,23H2,1-2H3,(H,26,30)/t11-/m0/s1
InChIKeySZSQLJJHVZIVBP-NSHDSACASA-N
XLogP2.84
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-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-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 71539920) is 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is CC[C@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SZSQLJJHVZIVBP-NSHDSACASA-N. The full InChI is InChI=1S/C20H23F2N7OS/c1-3-11-9-24-7-8-29(11)20-14(10-25-28(20)2)26-18(30)16-17(23)31-19(27-16)15-12(21)5-4-6-13(15)22/h4-6,10-11,24H,3,7-9,23H2,1-2H3,(H,26,30)/t11-/m0/s1.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 2.84, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[5-[(2S)-2-ethylpiperazin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71539920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).