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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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).