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

C22H25F2N5O2S — CID 123742933

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOC1(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCCCCC1
InChIInChI=1S/C22H25F2N5O2S/c1-29-18(22(31-2)10-5-3-4-6-11-22)15(12-26-29)27-20(30)17-19(25)32-21(28-17)16-13(23)8-7-9-14(16)24/h7-9,12H,3-6,10-11,25H2,1-2H3,(H,27,30)
InChIKeySSQAIWFJEFSLJX-UHFFFAOYSA-N
MW461.54 g/mol
LogP4.85
Rot. Bonds5

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

5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 123742933) has the molecular formula C22H25F2N5O2S and a molecular weight of 461.54 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID123742933
Molecular FormulaC22H25F2N5O2S
Molecular Weight461.54 g/mol
Exact Mass461.17
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOC1(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCCCCC1
InChIInChI=1S/C22H25F2N5O2S/c1-29-18(22(31-2)10-5-3-4-6-11-22)15(12-26-29)27-20(30)17-19(25)32-21(28-17)16-13(23)8-7-9-14(16)24/h7-9,12H,3-6,10-11,25H2,1-2H3,(H,27,30)
InChIKeySSQAIWFJEFSLJX-UHFFFAOYSA-N
XLogP4.85
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.54
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-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

Related Compounds

5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58465084
5-amino-N-[5-(4-aminopiperidin-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482333
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-(1-oxo-2,8-diazaspiro[4.5]decan-8-yl)pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 74983215
5-amino-2-(2,6-difluorophenyl)-N-[5-(3-fluoropyrrolidin-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 67437258
5-amino-2-(2,6-difluorophenyl)-N-[5-[(3S)-3-fluoropyrrolidin-1-yl]-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 58464735
5-amino-N-[5-[(4R)-4-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482603
5-amino-N-[5-[(3R)-3-aminoazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 53482781
5-amino-2-(2,6-difluorophenyl)-N-[5-(6-fluoro-6-methyl-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71539716
5-amino-2-(2,6-difluorophenyl)-N-[1-methyl-5-[(5S)-2-oxo-1,9-diazaspiro[4.6]undecan-9-yl]pyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 89456518
5-amino-N-[5-(4-amino-5-fluoroazepan-1-yl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 76794440
5-amino-2-(2,6-difluorophenyl)-N-[5-(5-fluoro-1,4-diazepan-1-yl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide
CID 71539404
N-[5-[(4R)-4-[acetyl(methyl)amino]azepan-1-yl]-1-methylpyrazol-4-yl]-5-amino-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 58464866

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide (CID 123742933) is 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is COC1(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCCCCC1.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is SSQAIWFJEFSLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N5O2S/c1-29-18(22(31-2)10-5-3-4-6-11-22)15(12-26-29)27-20(30)17-19(25)32-21(28-17)16-13(23)8-7-9-14(16)24/h7-9,12H,3-6,10-11,25H2,1-2H3,(H,27,30).
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 461.54 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[5-(1-methoxycycloheptyl)-1-methylpyrazol-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123742933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).