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

C20H20N4O2S — CID 110389584

IUPACN-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(CCc3ccccn3)n2)c1
InChIInChI=1S/C20H20N4O2S/c1-14(25)22-16-6-4-7-17(11-16)23-19(26)12-18-13-27-20(24-18)9-8-15-5-2-3-10-21-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFHSKYSMKXGRQAI-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.46
Rot. Bonds7

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

N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 110389584) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
PubChem CID110389584
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)Cc2csc(CCc3ccccn3)n2)c1
InChIInChI=1S/C20H20N4O2S/c1-14(25)22-16-6-4-7-17(11-16)23-19(26)12-18-13-27-20(24-18)9-8-15-5-2-3-10-21-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyFHSKYSMKXGRQAI-UHFFFAOYSA-N
XLogP3.46
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389581
N-(3-acetamidophenyl)-2-pyridin-2-ylacetamide
CID 110697004
N-(3-chloro-4-methoxyphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389576
N-tert-butyl-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389545
N-(2,4-dimethylphenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389560
2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetic acid
CID 82131126
N-(6-methoxynaphthalen-2-yl)-2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 166197937
N-(3-acetylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 34829771
1-(4-acetylpiperazin-1-yl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]ethanone
CID 110389506
N-[2-(2-methoxyphenyl)ethyl]-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide
CID 110389528
2-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 47029385
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(2-methyl-4-pyridinyl)acetamide
CID 82547746

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide (CID 110389584) is N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is CC(=O)Nc1cccc(NC(=O)Cc2csc(CCc3ccccn3)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is FHSKYSMKXGRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-14(25)22-16-6-4-7-17(11-16)23-19(26)12-18-13-27-20(24-18)9-8-15-5-2-3-10-21-15/h2-7,10-11,13H,8-9,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide?
N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[2-(2-pyridin-2-ylethyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 110389584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).