2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C15H18N4O2S2 — CID 18576148

IUPAC2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc(C(c3cccs3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C15H18N4O2S2/c1-2-11-16-15-19(17-11)14(20)13(23-15)12(10-4-3-9-22-10)18-5-7-21-8-6-18/h3-4,9,12,20H,2,5-8H2,1H3
InChIKeyNMAABRBUKWUVCF-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.54
Rot. Bonds4

About 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 18576148) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID18576148
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCCc1nc2sc(C(c3cccs3)N3CCOCC3)c(O)n2n1
InChIInChI=1S/C15H18N4O2S2/c1-2-11-16-15-19(17-11)14(20)13(23-15)12(10-4-3-9-22-10)18-5-7-21-8-6-18/h3-4,9,12,20H,2,5-8H2,1H3
InChIKeyNMAABRBUKWUVCF-UHFFFAOYSA-N
XLogP2.54
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethyl-5-[(R)-furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294130
2-ethyl-5-[furan-2-yl(morpholin-4-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576149
2-ethyl-5-[(S)-morpholin-4-yl-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294090
2-ethyl-5-[(S)-[4-(4-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30677795
5-[3,4-dihydro-1H-isoquinolin-2-yl(thiophen-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 18576335
5-[(S)-(4-benzylpiperidin-1-yl)-thiophen-2-ylmethyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 27280364
ethyl 1-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylate
CID 18576052
2-ethyl-5-[(R)-furan-2-yl-(4-methylpiperazin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294256
2-ethyl-5-[(S)-(4-methylpiperazin-1-yl)-(4-propan-2-ylphenyl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294230
2-ethyl-5-[(S)-furan-2-yl(piperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293644
5-[(S)-1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl(thiophen-2-yl)methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7294037
5-[(S)-1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiophen-2-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7067652

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (CID 18576148) is 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is CCc1nc2sc(C(c3cccs3)N3CCOCC3)c(O)n2n1.
What is the InChIKey of 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is NMAABRBUKWUVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-2-11-16-15-19(17-11)14(20)13(23-15)12(10-4-3-9-22-10)18-5-7-21-8-6-18/h3-4,9,12,20H,2,5-8H2,1H3.
What are the key properties of 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 350.47 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[morpholin-4-yl(thiophen-2-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 18576148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).