N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

C17H21N3O2S — CID 110389610

IUPACN-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CCc2ccncc2)n1)NCC1CCCO1
InChIInChI=1S/C17H21N3O2S/c21-16(19-11-15-2-1-9-22-15)10-14-12-23-17(20-14)4-3-13-5-7-18-8-6-13/h5-8,12,15H,1-4,9-11H2,(H,19,21)
InChIKeyBWTFYNCXGXWOHW-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.16
Rot. Bonds7

About N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide

N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389610) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389610
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC NameN-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(CCc2ccncc2)n1)NCC1CCCO1
InChIInChI=1S/C17H21N3O2S/c21-16(19-11-15-2-1-9-22-15)10-14-12-23-17(20-14)4-3-13-5-7-18-8-6-13/h5-8,12,15H,1-4,9-11H2,(H,19,21)
InChIKeyBWTFYNCXGXWOHW-UHFFFAOYSA-N
XLogP2.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110374670
N-[[(2S)-oxolan-2-yl]methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 30661838
2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 110386949
N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110300179
2-[2-[(4-chlorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40844012
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] pyridine-4-carboxylate
CID 7783951
2-[2-[(3-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18567713
N-(4-fluorophenyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389679
2-(oxolan-2-ylmethylamino)-N-(pyridin-4-ylmethyl)pyrimidine-5-carboxamide
CID 109252524
6-oxo-N-[4-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]-3H-pyridine-3-carboxamide
CID 73338988

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389610) is N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(CCc2ccncc2)n1)NCC1CCCO1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BWTFYNCXGXWOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c21-16(19-11-15-2-1-9-22-15)10-14-12-23-17(20-14)4-3-13-5-7-18-8-6-13/h5-8,12,15H,1-4,9-11H2,(H,19,21).
What are the key properties of N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 331.44 g/mol, XLogP of 2.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-2-[2-(2-pyridin-4-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).