4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine

C21H24FN5OS — CID 155523935

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C21H24FN5OS/c1-28-13-12-25-21-24-11-8-17(26-21)19-18(14-2-4-16(22)5-3-14)27-20(29-19)15-6-9-23-10-7-15/h2-5,8,11,15,23H,6-7,9-10,12-13H2,1H3,(H,24,25,26)
InChIKeyNYFWYWODSVOXOB-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.93
Rot. Bonds7

About 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine (PubChem CID 155523935) has the molecular formula C21H24FN5OS and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
PubChem CID155523935
Molecular FormulaC21H24FN5OS
Molecular Weight413.52 g/mol
Exact Mass413.17
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
SMILESCOCCNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1
InChIInChI=1S/C21H24FN5OS/c1-28-13-12-25-21-24-11-8-17(26-21)19-18(14-2-4-16(22)5-3-14)27-20(29-19)15-6-9-23-10-7-15/h2-5,8,11,15,23H,6-7,9-10,12-13H2,1H3,(H,24,25,26)
InChIKeyNYFWYWODSVOXOB-UHFFFAOYSA-N
XLogP3.93
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dabrafenib
CID 44462760
Cyc-116
CID 6420138
4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
N4-isobutyl-N2-((2-phenylthiazol-4-yl)methyl)pyrimidine-2,4-diamine
CID 71304818
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
4-(2,4-Dimethylthiazol-5-yl)-N-(4-morpholinophenyl)pyrimidin-2-amine
CID 10248401
CDK Inhibitor, 9
CID 11510921
2,6-Difluoro-N-{2-fluoro-5-[2-(1-methylethyl)-5-(2-{[6-(4-morpholinyl)-3-pyridinyl]amino}-4-pyrimidinyl)-1,3-thiazol-4-yl]phenyl}benzenesulfonamide
CID 46927672
2,6-Bis(Fluoranyl)-N-[3-[5-[2-[(3-Methylsulfonylphenyl)amino]pyrimidin-4-Yl]-2-Morpholin-4-Yl-1,3-Thiazol-4-Yl]phenyl]benzenesulfonamide
CID 91971264
4-(4-Fluorophenyl)-2-(1-methylpiperidin-4-yl)-5-(2-(1-(S)-Phenylethyl)amino-4-pyridinyl)thiazole
CID 10390073
2,6-difluoro-N-[3-fluoro-5-[5-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 56663136

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine (CID 155523935) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine is COCCNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
The InChIKey is NYFWYWODSVOXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5OS/c1-28-13-12-25-21-24-11-8-17(26-21)19-18(14-2-4-16(22)5-3-14)27-20(29-19)15-6-9-23-10-7-15/h2-5,8,11,15,23H,6-7,9-10,12-13H2,1H3,(H,24,25,26).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine has a molecular weight of 413.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-methoxyethyl)pyrimidin-2-amine is sourced from PubChem (CID 155523935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).