4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole

C19H19FN4S — CID 103597501

IUPAC4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
SMILESCN1CCN(c2cc(-c3nc(-c4ccc(F)cc4)cs3)ccn2)CC1
InChIInChI=1S/C19H19FN4S/c1-23-8-10-24(11-9-23)18-12-15(6-7-21-18)19-22-17(13-25-19)14-2-4-16(20)5-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyMWVJPLZSUIFVDQ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.76
Rot. Bonds3

About 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole

4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole (PubChem CID 103597501) has the molecular formula C19H19FN4S and a molecular weight of 354.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
PubChem CID103597501
Molecular FormulaC19H19FN4S
Molecular Weight354.45 g/mol
Exact Mass354.13
IUPAC Name4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
SMILESCN1CCN(c2cc(-c3nc(-c4ccc(F)cc4)cs3)ccn2)CC1
InChIInChI=1S/C19H19FN4S/c1-23-8-10-24(11-9-23)18-12-15(6-7-21-18)19-22-17(13-25-19)14-2-4-16(20)5-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyMWVJPLZSUIFVDQ-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole (CID 103597501) is 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole is CN1CCN(c2cc(-c3nc(-c4ccc(F)cc4)cs3)ccn2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
The InChIKey is MWVJPLZSUIFVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4S/c1-23-8-10-24(11-9-23)18-12-15(6-7-21-18)19-22-17(13-25-19)14-2-4-16(20)5-3-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole has a molecular weight of 354.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 103597501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).