4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine

C19H21FN6S — CID 133371519

IUPAC4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCN3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C19H21FN6S/c20-16-4-2-15(3-5-16)17-14-27-19(24-17)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7,14H,8-13H2,(H,23,24)
InChIKeyOBIMGVBSHIANPF-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.97
Rot. Bonds6

About 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine

4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine (PubChem CID 133371519) has the molecular formula C19H21FN6S and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
PubChem CID133371519
Molecular FormulaC19H21FN6S
Molecular Weight384.48 g/mol
Exact Mass384.15
IUPAC Name4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine
SMILESFc1ccc(-c2csc(NCCN3CCN(c4ncccn4)CC3)n2)cc1
InChIInChI=1S/C19H21FN6S/c20-16-4-2-15(3-5-16)17-14-27-19(24-17)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7,14H,8-13H2,(H,23,24)
InChIKeyOBIMGVBSHIANPF-UHFFFAOYSA-N
XLogP2.97
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-fluorophenyl)-N-(3-morpholin-4-ylpropyl)-1,3-thiazol-2-amine
CID 133370524
4-(4-fluorophenyl)-N-[2-(triazol-1-yl)ethyl]-1,3-thiazol-2-amine
CID 133449438
2-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]ethyl]isoindole-1,3-dione
CID 59761353
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 22199039
N-ethyl-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 1132723
N-(cyclopropylmethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133371002
1-ethyl-2-[(4-fluorophenyl)methyl]-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine;hydroiodide
CID 111233078
N-(2-benzylsulfinylethyl)-4-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 133372575
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]guanidine
CID 111230461
4-fluoro-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2-(trifluoromethylsulfonyl)aniline
CID 133283635
4-(4-fluorophenyl)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 133371154
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,3-benzothiazol-2-amine;dihydrochloride
CID 18460654

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine (CID 133371519) is 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine is Fc1ccc(-c2csc(NCCN3CCN(c4ncccn4)CC3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is OBIMGVBSHIANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6S/c20-16-4-2-15(3-5-16)17-14-27-19(24-17)23-8-9-25-10-12-26(13-11-25)18-21-6-1-7-22-18/h1-7,14H,8-13H2,(H,23,24).
What are the key properties of 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine?
4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 384.48 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 133371519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).