4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole

C18H18N4S — CID 59252377

IUPAC4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3csc(C4CCNCC4)n3)cn2)cc1
InChIInChI=1S/C18H18N4S/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2
InChIKeyHNODXTWDMDVWLW-UHFFFAOYSA-N
MW322.44 g/mol
LogP3.73
Rot. Bonds3

About 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole

4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 59252377) has the molecular formula C18H18N4S and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID59252377
Molecular FormulaC18H18N4S
Molecular Weight322.44 g/mol
Exact Mass322.13
IUPAC Name4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole
SMILESc1ccc(-c2ncc(-c3csc(C4CCNCC4)n3)cn2)cc1
InChIInChI=1S/C18H18N4S/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2
InChIKeyHNODXTWDMDVWLW-UHFFFAOYSA-N
XLogP3.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole (CID 59252377) is 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole is c1ccc(-c2ncc(-c3csc(C4CCNCC4)n3)cn2)cc1.
What is the InChIKey of 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is HNODXTWDMDVWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4S/c1-2-4-13(5-3-1)17-20-10-15(11-21-17)16-12-23-18(22-16)14-6-8-19-9-7-14/h1-5,10-12,14,19H,6-9H2.
What are the key properties of 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole?
4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 322.44 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylpyrimidin-5-yl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 59252377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).