N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C27H23N5O2S — CID 55545312

IUPACN-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCn1ccnc1-c1sc(NC(=O)CNC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-32-15-14-28-26(32)25-24(19-9-3-2-4-10-19)31-27(35-25)30-23(34)17-29-22(33)16-20-12-7-11-18-8-5-6-13-21(18)20/h2-15H,16-17H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyUGYJAXMNPMXUFK-UHFFFAOYSA-N
MW481.58 g/mol
LogP4.66
Rot. Bonds7

About N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55545312) has the molecular formula C27H23N5O2S and a molecular weight of 481.58 g/mol. Its IUPAC name is N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55545312
Molecular FormulaC27H23N5O2S
Molecular Weight481.58 g/mol
Exact Mass481.16
IUPAC NameN-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCn1ccnc1-c1sc(NC(=O)CNC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C27H23N5O2S/c1-32-15-14-28-26(32)25-24(19-9-3-2-4-10-19)31-27(35-25)30-23(34)17-29-22(33)16-20-12-7-11-18-8-5-6-13-21(18)20/h2-15H,16-17H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyUGYJAXMNPMXUFK-UHFFFAOYSA-N
XLogP4.66
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55585724
2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55515066
2-(4-methoxyphenyl)sulfanyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517376
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
ethyl N-[3-methyl-1-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 56555834
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55515234
2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 55519700
2-(2-amino-2-oxoethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]benzamide
CID 55514567
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 75470240

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55545312) is N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is Cn1ccnc1-c1sc(NC(=O)CNC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UGYJAXMNPMXUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O2S/c1-32-15-14-28-26(32)25-24(19-9-3-2-4-10-19)31-27(35-25)30-23(34)17-29-22(33)16-20-12-7-11-18-8-5-6-13-21(18)20/h2-15H,16-17H2,1H3,(H,29,33)(H,30,31,34).
What are the key properties of N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 481.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55545312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).