N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

C19H19N3O2S — CID 93191640

IUPACN-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-11-10-21-18(23)12-14-2-4-15(5-3-14)17-13-25-19(22-17)16-6-8-20-9-7-16/h2-9,13H,10-12H2,1H3,(H,21,23)
InChIKeyHDKVBYFOJBKLPV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.18
Rot. Bonds7

About N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide

N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (PubChem CID 93191640) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
PubChem CID93191640
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
SMILESCOCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1
InChIInChI=1S/C19H19N3O2S/c1-24-11-10-21-18(23)12-14-2-4-15(5-3-14)17-13-25-19(22-17)16-6-8-20-9-7-16/h2-9,13H,10-12H2,1H3,(H,21,23)
InChIKeyHDKVBYFOJBKLPV-UHFFFAOYSA-N
XLogP3.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetyl]amino]benzoate
CID 100597759
N-(3,5-dimethylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597321
N-benzhydryl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100598169
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate
CID 8610010
N-(5-chloro-2-methylphenyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597512
N-(2-methoxyethyl)-2-(4-phenylphenyl)acetamide
CID 2094675
2-methoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]acetamide
CID 108739717
2-methoxy-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]acetamide
CID 108738461
N-naphthalen-1-yl-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 100597375
N-(oxolan-2-ylmethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 110300179
N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]pyridine-4-carboxamide
CID 108739638
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide (CID 93191640) is N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is COCCNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
The InChIKey is HDKVBYFOJBKLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-24-11-10-21-18(23)12-14-2-4-15(5-3-14)17-13-25-19(22-17)16-6-8-20-9-7-16/h2-9,13H,10-12H2,1H3,(H,21,23).
What are the key properties of N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide?
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide has a molecular weight of 353.45 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide is sourced from PubChem (CID 93191640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).