2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole

C10H13ClF3N3S — CID 79765483

IUPAC2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClF3N3S/c11-9-15-5-8(18-9)6-16-1-3-17(4-2-16)7-10(12,13)14/h5H,1-4,6-7H2
InChIKeyPOBBPYGURRTEAP-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole

2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 79765483) has the molecular formula C10H13ClF3N3S and a molecular weight of 299.75 g/mol. Its IUPAC name is 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID79765483
Molecular FormulaC10H13ClF3N3S
Molecular Weight299.75 g/mol
Exact Mass299.05
IUPAC Name2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)CN1CCN(Cc2cnc(Cl)s2)CC1
InChIInChI=1S/C10H13ClF3N3S/c11-9-15-5-8(18-9)6-16-1-3-17(4-2-16)7-10(12,13)14/h5H,1-4,6-7H2
InChIKeyPOBBPYGURRTEAP-UHFFFAOYSA-N
XLogP2.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole (CID 79765483) is 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole is FC(F)(F)CN1CCN(Cc2cnc(Cl)s2)CC1.
What is the InChIKey of 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is POBBPYGURRTEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3S/c11-9-15-5-8(18-9)6-16-1-3-17(4-2-16)7-10(12,13)14/h5H,1-4,6-7H2.
What are the key properties of 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole?
2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 299.75 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 79765483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).