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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-fluorophenyl)-2-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 99943600
1-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]ethane-1,2-diol
CID 137345365
2-[[3-[4-(4-fluorophenyl)imidazol-1-yl]pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 141298129
4-methyl-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120967611
2-[(4-methylpiperazin-1-yl)methyl]-4-(4-prop-1-en-2-ylphenyl)-1,3-thiazole
CID 142085789
4-(4-fluorophenyl)-2-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 135092286
N-[2-[1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperidin-4-yl]pyrazol-3-yl]-3-methylbutanamide
CID 30854337
2-[(2-cyclohexyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-4-(4-fluorophenyl)-1,3-thiazole
CID 24912494
4-(2,5-dichlorophenyl)-2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole;hydrochloride
CID 120968361
1-[(3R,4S)-1-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 134700574
4-(4-fluorophenyl)-2-[(1S,6S)-9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl]-1,3-thiazole
CID 124744189
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540

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).