5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide

C25H26F3N5O2S — CID 123538740

IUPAC5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CC(N)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cc(C4(F)COC4)cc3F)sc2N)C1
InChIInChI=1S/C25H26F3N5O2S/c1-12-4-13(6-15(29)5-12)16-2-3-31-9-19(16)32-23(34)21-22(30)36-24(33-21)20-17(26)7-14(8-18(20)27)25(28)10-35-11-25/h2-3,7-9,12-13,15H,4-6,10-11,29-30H2,1H3,(H,32,34)
InChIKeyPGSSSFNERSLGEW-UHFFFAOYSA-N
MW517.58 g/mol
LogP4.74
Rot. Bonds5

About 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide

5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 123538740) has the molecular formula C25H26F3N5O2S and a molecular weight of 517.58 g/mol. Its IUPAC name is 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID123538740
Molecular FormulaC25H26F3N5O2S
Molecular Weight517.58 g/mol
Exact Mass517.18
IUPAC Name5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCC1CC(N)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cc(C4(F)COC4)cc3F)sc2N)C1
InChIInChI=1S/C25H26F3N5O2S/c1-12-4-13(6-15(29)5-12)16-2-3-31-9-19(16)32-23(34)21-22(30)36-24(33-21)20-17(26)7-14(8-18(20)27)25(28)10-35-11-25/h2-3,7-9,12-13,15H,4-6,10-11,29-30H2,1H3,(H,32,34)
InChIKeyPGSSSFNERSLGEW-UHFFFAOYSA-N
XLogP4.74
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.58
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

5-amino-N-[4-(3-amino-4-hydroxy-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(4-fluorooxan-4-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 123369606
3-amino-N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655194
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 70655198
3-amino-N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655187
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 123786027
5-amino-N-[4-(3-amino-4-hydroxy-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(oxan-4-yloxy)phenyl]-1,3-thiazole-4-carboxamide
CID 123856363
5-amino-N-[4-[(1R,3R,4R,5S)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-2-[2,6-difluoro-4-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 73331098
5-amino-2-(2,6-difluorophenyl)-N-[4-(3-hydroxy-5-methyl-4-propan-2-ylcyclohexyl)-3-pyridinyl]-1,3-thiazole-4-carboxamide
CID 123377087
N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 74953869
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(1-hydroxycyclobutyl)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655127
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-(oxetan-3-yloxy)phenyl]-5-fluoropyridine-2-carboxamide
CID 70655503
N-[4-[(1R,3R,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-6-[2,6-difluoro-4-[(1S)-1-hydroxyethyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 70654904

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide (CID 123538740) is 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide is CC1CC(N)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cc(C4(F)COC4)cc3F)sc2N)C1.
What is the InChIKey of 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is PGSSSFNERSLGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2S/c1-12-4-13(6-15(29)5-12)16-2-3-31-9-19(16)32-23(34)21-22(30)36-24(33-21)20-17(26)7-14(8-18(20)27)25(28)10-35-11-25/h2-3,7-9,12-13,15H,4-6,10-11,29-30H2,1H3,(H,32,34).
What are the key properties of 5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide?
5-amino-N-[4-(3-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 517.58 g/mol, XLogP of 4.74, 5 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-amino-5-methylcyclohexyl)-3-pyridinyl]-2-[2,6-difluoro-4-(3-fluorooxetan-3-yl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123538740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).