furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone

C19H19N5O3S2 — CID 30881316

IUPACfuran-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone
SMILESCc1nc2sc([C@@H](c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1
InChIInChI=1S/C19H19N5O3S2/c1-12-20-19-24(21-12)18(26)16(29-19)15(14-5-3-11-28-14)22-6-8-23(9-7-22)17(25)13-4-2-10-27-13/h2-5,10-11,15,26H,6-9H2,1H3/t15-/m1/s1
InChIKeyHTOVIECVYFLKKU-OAHLLOKOSA-N
MW429.53 g/mol
LogP3.01
Rot. Bonds4

About furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone

furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone (PubChem CID 30881316) has the molecular formula C19H19N5O3S2 and a molecular weight of 429.53 g/mol. Its IUPAC name is furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone
PubChem CID30881316
Molecular FormulaC19H19N5O3S2
Molecular Weight429.53 g/mol
Exact Mass429.09
IUPAC Namefuran-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone
SMILESCc1nc2sc([C@@H](c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1
InChIInChI=1S/C19H19N5O3S2/c1-12-20-19-24(21-12)18(26)16(29-19)15(14-5-3-11-28-14)22-6-8-23(9-7-22)17(25)13-4-2-10-27-13/h2-5,10-11,15,26H,6-9H2,1H3/t15-/m1/s1
InChIKeyHTOVIECVYFLKKU-OAHLLOKOSA-N
XLogP3.01
TPSA87.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(S)-(4-fluorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 30880792
[4-[(S)-(3,4-dichlorophenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 30483799
1-[4-[furan-2-yl-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 110382002
[4-[(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(furan-2-yl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 18576323
2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105406
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
furan-2-yl-[4-[(S)-[2-(furan-2-yl)-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-phenylmethyl]piperazin-1-yl]methanone
CID 30674230
[4-[(S)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(4-propan-2-ylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42545537
[4-[(R)-(2-ethyl-6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-(3-methylphenyl)methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 42545527
5-[furan-2-yl(pyrrolidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 110382476
5-[[4-(2-fluorophenyl)piperazin-1-yl]-thiophen-2-ylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4608964
[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

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone (CID 30881316) is furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone is Cc1nc2sc([C@@H](c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1.
What is the InChIKey of furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone?
The InChIKey is HTOVIECVYFLKKU-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O3S2/c1-12-20-19-24(21-12)18(26)16(29-19)15(14-5-3-11-28-14)22-6-8-23(9-7-22)17(25)13-4-2-10-27-13/h2-5,10-11,15,26H,6-9H2,1H3/t15-/m1/s1.
What are the key properties of furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone?
furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone has a molecular weight of 429.53 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(R)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-thiophen-2-ylmethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 30881316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).