[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate

C23H22FN3O3S — CID 173105551

IUPAC[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccccc1-c1nc(C(=O)CC2CCCCN2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN3O3S/c24-15-10-8-14(9-11-15)21-20(18(28)13-16-5-3-4-12-26-16)27-22(31-21)17-6-1-2-7-19(17)30-23(25)29/h1-2,6-11,16,26H,3-5,12-13H2,(H2,25,29)
InChIKeyGWZKBUDIIJCIIX-UHFFFAOYSA-N
MW439.51 g/mol
LogP4.79
Rot. Bonds6

About [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate

[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate (PubChem CID 173105551) has the molecular formula C23H22FN3O3S and a molecular weight of 439.51 g/mol. Its IUPAC name is [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate.

Molecular Properties

Compound Name[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate
PubChem CID173105551
Molecular FormulaC23H22FN3O3S
Molecular Weight439.51 g/mol
Exact Mass439.14
IUPAC Name[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate
SMILESNC(=O)Oc1ccccc1-c1nc(C(=O)CC2CCCCN2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C23H22FN3O3S/c24-15-10-8-14(9-11-15)21-20(18(28)13-16-5-3-4-12-26-16)27-22(31-21)17-6-1-2-7-19(17)30-23(25)29/h1-2,6-11,16,26H,3-5,12-13H2,(H2,25,29)
InChIKeyGWZKBUDIIJCIIX-UHFFFAOYSA-N
XLogP4.79
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate?
The IUPAC name of [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate (CID 173105551) is [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate.
What is the SMILES notation for [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate?
The canonical SMILES for [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate is NC(=O)Oc1ccccc1-c1nc(C(=O)CC2CCCCN2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate?
The InChIKey is GWZKBUDIIJCIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O3S/c24-15-10-8-14(9-11-15)21-20(18(28)13-16-5-3-4-12-26-16)27-22(31-21)17-6-1-2-7-19(17)30-23(25)29/h1-2,6-11,16,26H,3-5,12-13H2,(H2,25,29).
What are the key properties of [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate?
[2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate has a molecular weight of 439.51 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(4-fluorophenyl)-4-(2-piperidin-2-ylacetyl)-1,3-thiazol-2-yl]phenyl] carbamate is sourced from PubChem (CID 173105551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).