1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide

C20H25N5O4S — CID 4049132

IUPAC1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C20H25N5O4S/c1-11-22-20-25(23-11)19(27)17(30-20)16(24-8-6-12(7-9-24)18(21)26)13-4-5-14(28-2)15(10-13)29-3/h4-5,10,12,16,27H,6-9H2,1-3H3,(H2,21,26)
InChIKeyKTERKDTXAKGNRF-UHFFFAOYSA-N
MW431.52 g/mol
LogP2.11
Rot. Bonds6

About 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide

1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 4049132) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID4049132
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC
InChIInChI=1S/C20H25N5O4S/c1-11-22-20-25(23-11)19(27)17(30-20)16(24-8-6-12(7-9-24)18(21)26)13-4-5-14(28-2)15(10-13)29-3/h4-5,10,12,16,27H,6-9H2,1-3H3,(H2,21,26)
InChIKeyKTERKDTXAKGNRF-UHFFFAOYSA-N
XLogP2.11
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide (CID 4049132) is 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide is COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KTERKDTXAKGNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-11-22-20-25(23-11)19(27)17(30-20)16(24-8-6-12(7-9-24)18(21)26)13-4-5-14(28-2)15(10-13)29-3/h4-5,10,12,16,27H,6-9H2,1-3H3,(H2,21,26).
What are the key properties of 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide?
1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)-(6-hydroxy-2-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 4049132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).