5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C23H23ClFN5OS — CID 30677670

IUPAC5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c(O)n2n1
InChIInChI=1S/C23H23ClFN5OS/c1-2-19-26-23-30(27-19)22(31)21(32-23)20(15-7-3-4-8-16(15)24)29-13-11-28(12-14-29)18-10-6-5-9-17(18)25/h3-10,20,31H,2,11-14H2,1H3/t20-/m1/s1
InChIKeyIDTAVXLFZSGIBS-HXUWFJFHSA-N
MW471.99 g/mol
LogP4.76
Rot. Bonds5

About 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 30677670) has the molecular formula C23H23ClFN5OS and a molecular weight of 471.99 g/mol. Its IUPAC name is 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID30677670
Molecular FormulaC23H23ClFN5OS
Molecular Weight471.99 g/mol
Exact Mass471.13
IUPAC Name5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c(O)n2n1
InChIInChI=1S/C23H23ClFN5OS/c1-2-19-26-23-30(27-19)22(31)21(32-23)20(15-7-3-4-8-16(15)24)29-13-11-28(12-14-29)18-10-6-5-9-17(18)25/h3-10,20,31H,2,11-14H2,1H3/t20-/m1/s1
InChIKeyIDTAVXLFZSGIBS-HXUWFJFHSA-N
XLogP4.76
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethyl-5-[(S)-(2-fluorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30677679
5-[(R)-(2-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294265
2-ethyl-5-[(R)-(2-fluorophenyl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293482
5-[(2-chlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16810581
2-ethyl-5-[(R)-[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30677696
2-ethyl-5-[(R)-(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294277
5-[(2-chlorophenyl)-(3,5-dimethylpiperidin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16810553
5-[(2,4-dichlorophenyl)-(4-methylpiperazin-1-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576169
[4-[(R)-(2-chlorophenyl)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42545499
5-[(S)-(2-chlorophenyl)-[(3R)-3-methylpiperidin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280232
5-[(3,4-dichlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807782
5-[(S)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-fluorophenyl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294017

Frequently Asked Questions

What is the IUPAC name of 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 30677670) is 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc([C@@H](c3ccccc3Cl)N3CCN(c4ccccc4F)CC3)c(O)n2n1.
What is the InChIKey of 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is IDTAVXLFZSGIBS-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H23ClFN5OS/c1-2-19-26-23-30(27-19)22(31)21(32-23)20(15-7-3-4-8-16(15)24)29-13-11-28(12-14-29)18-10-6-5-9-17(18)25/h3-10,20,31H,2,11-14H2,1H3/t20-/m1/s1.
What are the key properties of 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 471.99 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(R)-(2-chlorophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 30677670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).