N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

C20H21N3O3S — CID 110330031

IUPACN-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-17-3-5-18(6-4-17)26-13-12-22-19(24)7-2-16-14-27-20(23-16)15-8-10-21-11-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,22,24)
InChIKeyGNSVPTDZDCAFNX-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.34
Rot. Bonds9

About N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide

N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (PubChem CID 110330031) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
PubChem CID110330031
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C20H21N3O3S/c1-25-17-3-5-18(6-4-17)26-13-12-22-19(24)7-2-16-14-27-20(23-16)15-8-10-21-11-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,22,24)
InChIKeyGNSVPTDZDCAFNX-UHFFFAOYSA-N
XLogP3.34
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methoxyphenoxy)ethyl]-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24516189
N-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329967
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
CID 35345566
N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333309
4-(4-methoxyphenyl)-4-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108749253
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
N-(3-phenylpropyl)-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330030
3-(2-pyridin-4-yl-1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 110675529
3-phenyl-N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 112500664
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
CID 72719801
N-tert-butyl-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330032

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide (CID 110330031) is N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is COc1ccc(OCCNC(=O)CCc2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
The InChIKey is GNSVPTDZDCAFNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-25-17-3-5-18(6-4-17)26-13-12-22-19(24)7-2-16-14-27-20(23-16)15-8-10-21-11-9-15/h3-6,8-11,14H,2,7,12-13H2,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide?
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide has a molecular weight of 383.47 g/mol, XLogP of 3.34, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110330031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).