2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol

C25H25FN6OS — CID 155512104

IUPAC2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol
SMILESOC(CNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C25H25FN6OS/c26-19-3-1-17(2-4-19)22-23(34-24(32-22)18-7-12-28-13-8-18)20-9-14-29-25(31-20)30-15-21(33)16-5-10-27-11-6-16/h1-6,9-11,14,18,21,28,33H,7-8,12-13,15H2,(H,29,30,31)
InChIKeyUPQOMQTWBXNCOY-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.41
Rot. Bonds7

About 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol

2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol (PubChem CID 155512104) has the molecular formula C25H25FN6OS and a molecular weight of 476.58 g/mol. Its IUPAC name is 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol
PubChem CID155512104
Molecular FormulaC25H25FN6OS
Molecular Weight476.58 g/mol
Exact Mass476.18
IUPAC Name2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol
SMILESOC(CNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)c1ccncc1
InChIInChI=1S/C25H25FN6OS/c26-19-3-1-17(2-4-19)22-23(34-24(32-22)18-7-12-28-13-8-18)20-9-14-29-25(31-20)30-15-21(33)16-5-10-27-11-6-16/h1-6,9-11,14,18,21,28,33H,7-8,12-13,15H2,(H,29,30,31)
InChIKeyUPQOMQTWBXNCOY-UHFFFAOYSA-N
XLogP4.41
TPSA95.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol?
The IUPAC name of 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol (CID 155512104) is 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol.
What is the SMILES notation for 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol?
The canonical SMILES for 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol is OC(CNc1nccc(-c2sc(C3CCNCC3)nc2-c2ccc(F)cc2)n1)c1ccncc1.
What is the InChIKey of 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol?
The InChIKey is UPQOMQTWBXNCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6OS/c26-19-3-1-17(2-4-19)22-23(34-24(32-22)18-7-12-28-13-8-18)20-9-14-29-25(31-20)30-15-21(33)16-5-10-27-11-6-16/h1-6,9-11,14,18,21,28,33H,7-8,12-13,15H2,(H,29,30,31).
What are the key properties of 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol?
2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol has a molecular weight of 476.58 g/mol, XLogP of 4.41, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1-pyridin-4-ylethanol is sourced from PubChem (CID 155512104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).