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

C17H19N5O2S — CID 4201892

IUPAC1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2sc3ncnn3c2O)CC1
InChIInChI=1S/C17H19N5O2S/c18-15(23)12-6-8-21(9-7-12)13(11-4-2-1-3-5-11)14-16(24)22-17(25-14)19-10-20-22/h1-5,10,12-13,24H,6-9H2,(H2,18,23)
InChIKeyPAMRWXMUSJVIAX-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.78
Rot. Bonds4

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

1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (PubChem CID 4201892) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
PubChem CID4201892
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(c2ccccc2)c2sc3ncnn3c2O)CC1
InChIInChI=1S/C17H19N5O2S/c18-15(23)12-6-8-21(9-7-12)13(11-4-2-1-3-5-11)14-16(24)22-17(25-14)19-10-20-22/h1-5,10,12-13,24H,6-9H2,(H2,18,23)
InChIKeyPAMRWXMUSJVIAX-UHFFFAOYSA-N
XLogP1.78
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide (CID 4201892) is 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(c2ccccc2)c2sc3ncnn3c2O)CC1.
What is the InChIKey of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
The InChIKey is PAMRWXMUSJVIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c18-15(23)12-6-8-21(9-7-12)13(11-4-2-1-3-5-11)14-16(24)22-17(25-14)19-10-20-22/h1-5,10,12-13,24H,6-9H2,(H2,18,23).
What are the key properties of 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide?
1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide has a molecular weight of 357.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-hydroxy-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl)-phenylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 4201892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).