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

C25H28FN5OS — CID 90895100

IUPACN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C25H28FN5OS/c26-19-8-6-16(7-9-19)21-22(33-24(30-21)18-10-13-27-14-11-18)20-12-15-28-25(29-20)31-23(32)17-4-2-1-3-5-17/h6-9,12,15,17-18,27H,1-5,10-11,13-14H2,(H,28,29,31,32)
InChIKeyWWMKNMHIMDNJSJ-UHFFFAOYSA-N
MW465.60 g/mol
LogP5.39
Rot. Bonds5

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

N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide (PubChem CID 90895100) has the molecular formula C25H28FN5OS and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide
PubChem CID90895100
Molecular FormulaC25H28FN5OS
Molecular Weight465.60 g/mol
Exact Mass465.20
IUPAC NameN-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide
SMILESO=C(Nc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)C1CCCCC1
InChIInChI=1S/C25H28FN5OS/c26-19-8-6-16(7-9-19)21-22(33-24(30-21)18-10-13-27-14-11-18)20-12-15-28-25(29-20)31-23(32)17-4-2-1-3-5-17/h6-9,12,15,17-18,27H,1-5,10-11,13-14H2,(H,28,29,31,32)
InChIKeyWWMKNMHIMDNJSJ-UHFFFAOYSA-N
XLogP5.39
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486140
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-morpholin-4-ylethyl)pyrimidin-2-amine
CID 155563214
N-[4-(4-bromophenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 67450594
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
CID 143376446
CID 87897736
CID 87897736
4-[4-(4-fluorophenyl)-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 22486148
N-cyclohexyl-4-[2-(4-iminocyclohexyl)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143376475
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119266983
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
N-[4-(3-propan-2-yloxyphenyl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 67451522
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-phenylethyl)pyridin-2-amine
CID 22486134
cyclohexyl 2-[4-(4-carbamoyl-2-piperidin-4-yl-1,3-thiazol-5-yl)phenoxy]acetate
CID 67644124

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide (CID 90895100) is N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide is O=C(Nc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)C1CCCCC1.
What is the InChIKey of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide?
The InChIKey is WWMKNMHIMDNJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5OS/c26-19-8-6-16(7-9-19)21-22(33-24(30-21)18-10-13-27-14-11-18)20-12-15-28-25(29-20)31-23(32)17-4-2-1-3-5-17/h6-9,12,15,17-18,27H,1-5,10-11,13-14H2,(H,28,29,31,32).
What are the key properties of N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide?
N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide has a molecular weight of 465.60 g/mol, XLogP of 5.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 90895100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).