[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

C19H24FN5OS — CID 71840335

IUPAC[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C19H24FN5OS/c1-22-6-8-24(9-7-22)18(26)16-14-27-19(21-16)25-12-10-23(11-13-25)17-5-3-2-4-15(17)20/h2-5,14H,6-13H2,1H3
InChIKeySZXVSHFOPLIBJK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.00
Rot. Bonds3

About [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone

[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71840335) has the molecular formula C19H24FN5OS and a molecular weight of 389.50 g/mol. Its IUPAC name is [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71840335
Molecular FormulaC19H24FN5OS
Molecular Weight389.50 g/mol
Exact Mass389.17
IUPAC Name[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1
InChIInChI=1S/C19H24FN5OS/c1-22-6-8-24(9-7-22)18(26)16-14-27-19(21-16)25-12-10-23(11-13-25)17-5-3-2-4-15(17)20/h2-5,14H,6-13H2,1H3
InChIKeySZXVSHFOPLIBJK-UHFFFAOYSA-N
XLogP2.00
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Acetylamino)-N-[2-(Piperidin-1-Yl)phenyl]-1,3-Thiazole-4-Carboxamide
CID 39005031
[2-(4-Methylanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 1096815
2-(Phenylamino)-N-[2-(1-piperazinyl)phenyl]-4-thiazolecarboxamide
CID 24779781
2-(N-methylanilino)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 24967393
(2,3-Dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]methanone
CID 71818431
1-(2,6-Dimethyl-piperidin-1-yl)-2-{4-[4-(4-fluoro-phenyl)-thiazol-2-yl]-piperazin-1-yl}-ethanone
CID 651609
2-p-Tolylamino-thiazole-4-carboxylic acid diethylamide
CID 654109
N-benzyl-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096819
2-[[2-[4-(2-fluorophenyl)piperazin-1-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 6465336
2-[4-(4-fluorophenyl)-1-piperazinyl]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide
CID 17066571
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 17428539
N-(4-fluorophenyl)-N-[4-[(2-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 51128940

Frequently Asked Questions

What is the IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 71840335) is [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)CC1.
What is the InChIKey of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is SZXVSHFOPLIBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5OS/c1-22-6-8-24(9-7-22)18(26)16-14-27-19(21-16)25-12-10-23(11-13-25)17-5-3-2-4-15(17)20/h2-5,14H,6-13H2,1H3.
What are the key properties of [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 389.50 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71840335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).