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

C19H25FN4S — CID 74241415

IUPAC4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCN1CCN(C2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1
InChIInChI=1S/C19H25FN4S/c1-22-8-10-24(11-9-22)17-6-7-23(12-17)13-19-21-18(14-25-19)15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3
InChIKeyOJBNOGNQVGVJCC-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.77
Rot. Bonds4

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

4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 74241415) has the molecular formula C19H25FN4S and a molecular weight of 360.50 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID74241415
Molecular FormulaC19H25FN4S
Molecular Weight360.50 g/mol
Exact Mass360.18
IUPAC Name4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESCN1CCN(C2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1
InChIInChI=1S/C19H25FN4S/c1-22-8-10-24(11-9-22)17-6-7-23(12-17)13-19-21-18(14-25-19)15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3
InChIKeyOJBNOGNQVGVJCC-UHFFFAOYSA-N
XLogP2.77
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.77
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-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 74241415) is 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is CN1CCN(C2CCN(Cc3nc(-c4ccc(F)cc4)cs3)C2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is OJBNOGNQVGVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4S/c1-22-8-10-24(11-9-22)17-6-7-23(12-17)13-19-21-18(14-25-19)15-2-4-16(20)5-3-15/h2-5,14,17H,6-13H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 360.50 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[[3-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 74241415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).