4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide

C23H20N4O2S — CID 16897211

IUPAC4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)Nc3cccc4ccccc34)s2)c1
InChIInChI=1S/C23H20N4O2S/c1-14-7-5-10-17(13-14)25-22(29)27-23-24-15(2)20(30-23)21(28)26-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,1-2H3,(H,26,28)(H2,24,25,27,29)
InChIKeyVRGWVNSUTKYPLQ-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.81
Rot. Bonds4

About 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide

4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 16897211) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
PubChem CID16897211
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)Nc3cccc4ccccc34)s2)c1
InChIInChI=1S/C23H20N4O2S/c1-14-7-5-10-17(13-14)25-22(29)27-23-24-15(2)20(30-23)21(28)26-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,1-2H3,(H,26,28)(H2,24,25,27,29)
InChIKeyVRGWVNSUTKYPLQ-UHFFFAOYSA-N
XLogP5.81
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-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

4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
2-[(4-chlorophenyl)carbamoylamino]-4-methyl-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide
CID 16897637
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897898
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
N-(4-butylphenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897189
ethyl 4-[[4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carbonyl]amino]benzoate
CID 16897206
4-methyl-2-(methylamino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 110386385
4-methyl-2-(3-methylanilino)-N-(3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 53152765
N-[2-(4-methoxyphenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897177

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide (CID 16897211) is 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide is Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)Nc3cccc4ccccc34)s2)c1.
What is the InChIKey of 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is VRGWVNSUTKYPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-14-7-5-10-17(13-14)25-22(29)27-23-24-15(2)20(30-23)21(28)26-19-12-6-9-16-8-3-4-11-18(16)19/h3-13H,1-2H3,(H,26,28)(H2,24,25,27,29).
What are the key properties of 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 5.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3-methylphenyl)carbamoylamino]-N-naphthalen-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).