N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide

C17H20N4O2S — CID 53141318

IUPACN-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCCCC1
InChIInChI=1S/C17H20N4O2S/c1-2-13(22)19-15-14(12-8-4-5-9-18-12)20-24-16(15)17(23)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,22)
InChIKeyOADKDJJFLDXYGJ-UHFFFAOYSA-N
MW344.44 g/mol
LogP3.18
Rot. Bonds4

About N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide

N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide (PubChem CID 53141318) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
PubChem CID53141318
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide
SMILESCCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCCCC1
InChIInChI=1S/C17H20N4O2S/c1-2-13(22)19-15-14(12-8-4-5-9-18-12)20-24-16(15)17(23)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,22)
InChIKeyOADKDJJFLDXYGJ-UHFFFAOYSA-N
XLogP3.18
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide?
The IUPAC name of N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide (CID 53141318) is N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide?
The canonical SMILES for N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide is CCC(=O)Nc1c(-c2ccccn2)nsc1C(=O)N1CCCCC1.
What is the InChIKey of N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide?
The InChIKey is OADKDJJFLDXYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-2-13(22)19-15-14(12-8-4-5-9-18-12)20-24-16(15)17(23)21-10-6-3-7-11-21/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,19,22).
What are the key properties of N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide?
N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide has a molecular weight of 344.44 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(piperidine-1-carbonyl)-3-pyridin-2-yl-1,2-thiazol-4-yl]propanamide is sourced from PubChem (CID 53141318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).