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

C25H20N4OS — CID 55516485

IUPACN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCn1ccnc1-c1sc(NC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C25H20N4OS/c1-29-15-14-26-24(29)23-22(18-9-3-2-4-10-18)28-25(31-23)27-21(30)16-19-12-7-11-17-8-5-6-13-20(17)19/h2-15H,16H2,1H3,(H,27,28,30)
InChIKeyIEDMCNKIBQUSEK-UHFFFAOYSA-N
MW424.53 g/mol
LogP5.55
Rot. Bonds5

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

N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (PubChem CID 55516485) has the molecular formula C25H20N4OS and a molecular weight of 424.53 g/mol. Its IUPAC name is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
PubChem CID55516485
Molecular FormulaC25H20N4OS
Molecular Weight424.53 g/mol
Exact Mass424.14
IUPAC NameN-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
SMILESCn1ccnc1-c1sc(NC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C25H20N4OS/c1-29-15-14-26-24(29)23-22(18-9-3-2-4-10-18)28-25(31-23)27-21(30)16-19-12-7-11-17-8-5-6-13-20(17)19/h2-15H,16H2,1H3,(H,27,28,30)
InChIKeyIEDMCNKIBQUSEK-UHFFFAOYSA-N
XLogP5.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55545312
2-(4-methoxyphenyl)sulfanyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517376
2-chloro-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 55515066
2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
CID 55585724
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-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517443
2-acetamido-3-(1H-indol-3-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]propanamide
CID 55519700
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947
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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide (CID 55516485) is N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is Cn1ccnc1-c1sc(NC(=O)Cc2cccc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
The InChIKey is IEDMCNKIBQUSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4OS/c1-29-15-14-26-24(29)23-22(18-9-3-2-4-10-18)28-25(31-23)27-21(30)16-19-12-7-11-17-8-5-6-13-20(17)19/h2-15H,16H2,1H3,(H,27,28,30).
What are the key properties of N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide?
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide has a molecular weight of 424.53 g/mol, XLogP of 5.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55516485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).