2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

C16H20N4OS2 — CID 7105406

IUPAC2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@@H](c3cccs3)N3CCC(C)CC3)c(O)n2n1
InChIInChI=1S/C16H20N4OS2/c1-10-5-7-19(8-6-10)13(12-4-3-9-22-12)14-15(21)20-16(23-14)17-11(2)18-20/h3-4,9-10,13,21H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyHFZUMWQFEKJIGZ-CYBMUJFWSA-N
MW348.50 g/mol
LogP3.69
Rot. Bonds3

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

2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol (PubChem CID 7105406) has the molecular formula C16H20N4OS2 and a molecular weight of 348.50 g/mol. Its IUPAC name is 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.

Molecular Properties

Compound Name2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
PubChem CID7105406
Molecular FormulaC16H20N4OS2
Molecular Weight348.50 g/mol
Exact Mass348.11
IUPAC Name2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
SMILESCc1nc2sc([C@@H](c3cccs3)N3CCC(C)CC3)c(O)n2n1
InChIInChI=1S/C16H20N4OS2/c1-10-5-7-19(8-6-10)13(12-4-3-9-22-12)14-15(21)20-16(23-14)17-11(2)18-20/h3-4,9-10,13,21H,5-8H2,1-2H3/t13-/m1/s1
InChIKeyHFZUMWQFEKJIGZ-CYBMUJFWSA-N
XLogP3.69
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.50
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-bromophenyl)-(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 4087136
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
5-[(R)-(2-fluorophenyl)-(4-methylpiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7199025
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
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
2-methyl-5-[(S)-(3-methylthiophen-2-yl)-pyrrolidin-1-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7475498
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
5-[(R)-(4-benzhydrylpiperazin-1-yl)-phenylmethyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 30675291
5-[(R)-(4-fluorophenyl)-(4-hydroxypiperidin-1-yl)methyl]-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7105106
2-methyl-5-[(R)-[(3R)-3-methylpiperidin-1-yl]-phenylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 98373051
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
2-ethyl-5-[(S)-(4-methylphenyl)-(4-methylpiperidin-1-yl)methyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol
CID 7293756

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The IUPAC name of 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) is 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol.
What is the SMILES notation for 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The canonical SMILES for 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is Cc1nc2sc([C@@H](c3cccs3)N3CCC(C)CC3)c(O)n2n1.
What is the InChIKey of 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
The InChIKey is HFZUMWQFEKJIGZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20N4OS2/c1-10-5-7-19(8-6-10)13(12-4-3-9-22-12)14-15(21)20-16(23-14)17-11(2)18-20/h3-4,9-10,13,21H,5-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol?
2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol has a molecular weight of 348.50 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(R)-(4-methylpiperidin-1-yl)-thiophen-2-ylmethyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol is sourced from PubChem (CID 7105406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).