N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide

C23H18N2OS — CID 3533198

IUPACN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c4c(cccc24)CC3)nc1-c1ccccc1
InChIInChI=1S/C23H18N2OS/c1-14-21(17-6-3-2-4-7-17)24-23(27-14)25-22(26)19-13-12-16-11-10-15-8-5-9-18(19)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,24,25,26)
InChIKeyQYUUTVFEELPRRX-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.62
Rot. Bonds3

About N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 3533198) has the molecular formula C23H18N2OS and a molecular weight of 370.48 g/mol. Its IUPAC name is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID3533198
Molecular FormulaC23H18N2OS
Molecular Weight370.48 g/mol
Exact Mass370.11
IUPAC NameN-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCc1sc(NC(=O)c2ccc3c4c(cccc24)CC3)nc1-c1ccccc1
InChIInChI=1S/C23H18N2OS/c1-14-21(17-6-3-2-4-7-17)24-23(27-14)25-22(26)19-13-12-16-11-10-15-8-5-9-18(19)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,24,25,26)
InChIKeyQYUUTVFEELPRRX-UHFFFAOYSA-N
XLogP5.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 3649410
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 19203542
4-fluoro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 2304857
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 4200975
2-[[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]naphthalene-1-carboxylic acid
CID 174636232
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
3-methyl-2-(4-methylphenyl)-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4292288
3,4-dimethyl-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzamide
CID 868794
2-fluoro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 7769422
2-phenyl-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)quinoline-4-carboxamide
CID 4524436
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 3533198) is N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide is Cc1sc(NC(=O)c2ccc3c4c(cccc24)CC3)nc1-c1ccccc1.
What is the InChIKey of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is QYUUTVFEELPRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2OS/c1-14-21(17-6-3-2-4-7-17)24-23(27-14)25-22(26)19-13-12-16-11-10-15-8-5-9-18(19)20(15)16/h2-9,12-13H,10-11H2,1H3,(H,24,25,26).
What are the key properties of N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 370.48 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 3533198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).