2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide

C16H17N5OS2 — CID 4780170

IUPAC2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide
SMILESNNC(=O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C16H17N5OS2/c17-20-15(22)10-9-11(12-5-4-8-23-12)18-14-13(10)24-16(19-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,17H2,(H,20,22)
InChIKeyYJGBIQZHRFJUOA-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.01
Rot. Bonds3

About 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide

2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide (PubChem CID 4780170) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide.

Molecular Properties

Compound Name2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide
PubChem CID4780170
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide
SMILESNNC(=O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12
InChIInChI=1S/C16H17N5OS2/c17-20-15(22)10-9-11(12-5-4-8-23-12)18-14-13(10)24-16(19-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,17H2,(H,20,22)
InChIKeyYJGBIQZHRFJUOA-UHFFFAOYSA-N
XLogP3.01
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylamino)-2-oxoethyl] 5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxylate
CID 46608984
N-[(3S)-1,1-dioxothiolan-3-yl]-5-phenyl-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 27711100
6-methyl-2-thiophen-2-ylquinoline-4-carbohydrazide
CID 86004329
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-(4-methylphenyl)-2-piperidin-1-yl-[1,3]thiazolo[4,5-b]pyridine-7-carboxamide
CID 53327641
6-methyl-N-(2-piperidin-1-ylethyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 42659166
N-(2,6-dimethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836671
1-methyl-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]-3-thiophen-2-ylpyrazole-5-carboxamide
CID 122352897
(3-amino-4-phenyl-6-thiophen-2-ylthieno[2,3-b]pyridin-2-yl)-piperidin-1-ylmethanone
CID 122624340
1,3-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 37481021
3,4-dimethoxy-N-[(2-piperidin-1-yl-4-thiophen-2-yl-1,3-thiazol-5-yl)methylideneamino]benzamide
CID 2124019
N-(4-ethylphenyl)-2-(4-oxo-2-piperidin-1-yl-7-thiophen-2-yl-[1,3]thiazolo[4,5-d]pyridazin-5-yl)acetamide
CID 30836620
6-pyrrolidin-1-ylsulfonyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 3509609

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide?
The IUPAC name of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide (CID 4780170) is 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide.
What is the SMILES notation for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide?
The canonical SMILES for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide is NNC(=O)c1cc(-c2cccs2)nc2nc(N3CCCCC3)sc12.
What is the InChIKey of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide?
The InChIKey is YJGBIQZHRFJUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c17-20-15(22)10-9-11(12-5-4-8-23-12)18-14-13(10)24-16(19-14)21-6-2-1-3-7-21/h4-5,8-9H,1-3,6-7,17H2,(H,20,22).
What are the key properties of 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide?
2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide has a molecular weight of 359.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyridine-7-carbohydrazide is sourced from PubChem (CID 4780170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).