5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

C23H25F2N5O2S — CID 123786027

IUPAC5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOC1C(C)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1N
InChIInChI=1S/C23H25F2N5O2S/c1-11-8-12(9-16(26)20(11)32-2)13-6-7-28-10-17(13)29-22(31)19-21(27)33-23(30-19)18-14(24)4-3-5-15(18)25/h3-7,10-12,16,20H,8-9,26-27H2,1-2H3,(H,29,31)
InChIKeyJNOBBFHKVJLMIK-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.17
Rot. Bonds5

About 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 123786027) has the molecular formula C23H25F2N5O2S and a molecular weight of 473.55 g/mol. Its IUPAC name is 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID123786027
Molecular FormulaC23H25F2N5O2S
Molecular Weight473.55 g/mol
Exact Mass473.17
IUPAC Name5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCOC1C(C)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1N
InChIInChI=1S/C23H25F2N5O2S/c1-11-8-12(9-16(26)20(11)32-2)13-6-7-28-10-17(13)29-22(31)19-21(27)33-23(30-19)18-14(24)4-3-5-15(18)25/h3-7,10-12,16,20H,8-9,26-27H2,1-2H3,(H,29,31)
InChIKeyJNOBBFHKVJLMIK-UHFFFAOYSA-N
XLogP4.17
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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-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
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
N-[4-[(1R,3R,4S,5S)-3-amino-4-fluoro-5-methylcyclohexyl]-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 59455739
N-[4-(3-amino-4-fluoro-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 67500033
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
1-[5-amino-2-(2,6-difluorophenyl)pyrimidin-4-yl]-2-[4-[(1R,3R,4S,5S)-3-amino-4-methoxy-5-methylcyclohexyl]-3-pyridinyl]ethanone
CID 147853496
N-[4-[(1R,3R,4S,5S)-3-amino-4,5-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 143951540
[(1R,2R,4R,6S)-2-amino-4-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-6-methylcyclohexyl] methanesulfonate
CID 72551165
N-[4-[(1S,3S,4R,5R)-3-amino-4-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide
CID 46179668
3-amino-N-[4-[4-(fluoromethyl)-3-hydroxy-5-methylcyclohexyl]-3-pyridinyl]-6-(2-fluoro-6-phosphanylphenyl)pyridine-2-carboxamide
CID 123608683

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide (CID 123786027) is 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is COC1C(C)CC(c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)sc2N)CC1N.
What is the InChIKey of 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JNOBBFHKVJLMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N5O2S/c1-11-8-12(9-16(26)20(11)32-2)13-6-7-28-10-17(13)29-22(31)19-21(27)33-23(30-19)18-14(24)4-3-5-15(18)25/h3-7,10-12,16,20H,8-9,26-27H2,1-2H3,(H,29,31).
What are the key properties of 5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide?
5-amino-N-[4-(3-amino-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 473.55 g/mol, XLogP of 4.17, 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-4-methoxy-5-methylcyclohexyl)-3-pyridinyl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 123786027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).