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

C24H29FN6S2 — CID 155528745

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCCN3CCSCC3)n2)cc1
InChIInChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)
InChIKeyXWMBNHQWCOHJQH-UHFFFAOYSA-N
MW484.67 g/mol
LogP4.33
Rot. Bonds7

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

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine (PubChem CID 155528745) has the molecular formula C24H29FN6S2 and a molecular weight of 484.67 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
PubChem CID155528745
Molecular FormulaC24H29FN6S2
Molecular Weight484.67 g/mol
Exact Mass484.19
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCCN3CCSCC3)n2)cc1
InChIInChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29)
InChIKeyXWMBNHQWCOHJQH-UHFFFAOYSA-N
XLogP4.33
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.67
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine (CID 155528745) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(NCCN3CCSCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
The InChIKey is XWMBNHQWCOHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6S2/c25-19-3-1-17(2-4-19)21-22(33-23(30-21)18-5-8-26-9-6-18)20-7-10-27-24(29-20)28-11-12-31-13-15-32-16-14-31/h1-4,7,10,18,26H,5-6,8-9,11-16H2,(H,27,28,29).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine has a molecular weight of 484.67 g/mol, XLogP of 4.33, 7 rotatable bonds, 2 hydrogen bond donors, and 8 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-thiomorpholin-4-ylethyl)pyrimidin-2-amine is sourced from PubChem (CID 155528745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).