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

C20H22F2N6OS — CID 58464763

IUPAC5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1
InChIInChI=1S/C20H22F2N6OS/c1-28-17(10-5-7-11(23)8-6-10)14(9-25-28)26-19(29)16-18(24)30-20(27-16)15-12(21)3-2-4-13(15)22/h2-4,9-11H,5-8,23-24H2,1H3,(H,26,29)
InChIKeyZGTXKDRQZHGJAA-UHFFFAOYSA-N
MW432.50 g/mol
LogP3.64
Rot. Bonds4

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

5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 58464763) has the molecular formula C20H22F2N6OS and a molecular weight of 432.50 g/mol. Its IUPAC name is 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID58464763
Molecular FormulaC20H22F2N6OS
Molecular Weight432.50 g/mol
Exact Mass432.15
IUPAC Name5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1
InChIInChI=1S/C20H22F2N6OS/c1-28-17(10-5-7-11(23)8-6-10)14(9-25-28)26-19(29)16-18(24)30-20(27-16)15-12(21)3-2-4-13(15)22/h2-4,9-11H,5-8,23-24H2,1H3,(H,26,29)
InChIKeyZGTXKDRQZHGJAA-UHFFFAOYSA-N
XLogP3.64
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.50
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-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-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 58464763) is 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1C1CCC(N)CC1.
What is the InChIKey of 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZGTXKDRQZHGJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6OS/c1-28-17(10-5-7-11(23)8-6-10)14(9-25-28)26-19(29)16-18(24)30-20(27-16)15-12(21)3-2-4-13(15)22/h2-4,9-11H,5-8,23-24H2,1H3,(H,26,29).
What are the key properties of 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 432.50 g/mol, XLogP of 3.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[5-(4-aminocyclohexyl)-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 58464763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).