5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C19H25N5OS — CID 44976635

IUPAC5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN1CCN(C(c2ccccc2C)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C19H25N5OS/c1-4-22-9-11-23(12-10-22)16(15-8-6-5-7-13(15)2)17-18(25)24-19(26-17)20-14(3)21-24/h5-8,16,25H,4,9-12H2,1-3H3
InChIKeyJNAABFTVWNRCRH-UHFFFAOYSA-N
MW371.51 g/mol
LogP2.84
Rot. Bonds4

About 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 44976635) has the molecular formula C19H25N5OS and a molecular weight of 371.51 g/mol. Its IUPAC name is 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID44976635
Molecular FormulaC19H25N5OS
Molecular Weight371.51 g/mol
Exact Mass371.18
IUPAC Name5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCN1CCN(C(c2ccccc2C)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C19H25N5OS/c1-4-22-9-11-23(12-10-22)16(15-8-6-5-7-13(15)2)17-18(25)24-19(26-17)20-14(3)21-24/h5-8,16,25H,4,9-12H2,1-3H3
InChIKeyJNAABFTVWNRCRH-UHFFFAOYSA-N
XLogP2.84
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.51
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(S)-(4-ethylpiperazin-1-yl)-(2-methoxyphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7475726
5-[(4-ethylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4612090
5-[[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807792
5-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30483718
ethyl 1-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(2-methylphenyl)methyl]piperidine-4-carboxylate
CID 7475596
5-[(3-bromophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 16807734
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)-(4-ethylpiperazin-1-yl)-(2-fluorophenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294277
5-[(R)-(4-benzhydrylpiperazin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675291
5-[(S)-(4-benzylpiperazin-1-yl)-(4-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675299
5-[(R)-(2-fluorophenyl)-piperidin-1-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7198963
ethyl 4-[(S)-(2-fluorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazine-1-carboxylate
CID 7199293

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 44976635) is 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCN1CCN(C(c2ccccc2C)c2sc3nc(C)nn3c2O)CC1.
What is the InChIKey of 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is JNAABFTVWNRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5OS/c1-4-22-9-11-23(12-10-22)16(15-8-6-5-7-13(15)2)17-18(25)24-19(26-17)20-14(3)21-24/h5-8,16,25H,4,9-12H2,1-3H3.
What are the key properties of 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 371.51 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylpiperazin-1-yl)-(2-methylphenyl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 44976635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).