2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

C21H21N3O2S — CID 55865804

IUPAC2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13(2)22-19(25)15-8-10-17(11-9-15)23-20(26)18-12-27-21(24-18)16-6-4-14(3)5-7-16/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyFJJHTMWQRBFLSB-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.51
Rot. Bonds5

About 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide

2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 55865804) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID55865804
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H21N3O2S/c1-13(2)22-19(25)15-8-10-17(11-9-15)23-20(26)18-12-27-21(24-18)16-6-4-14(3)5-7-16/h4-13H,1-3H3,(H,22,25)(H,23,26)
InChIKeyFJJHTMWQRBFLSB-UHFFFAOYSA-N
XLogP4.51
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 26467798
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46584667
2-(4-fluorophenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 18097614
2-(4-methoxyphenyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 17392431
N-[4-(tert-butylcarbamoyl)phenyl]-2-(4-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46539769
2-N-(4-methylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078101
N-(4-methylphenyl)-2-(5-methylthiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 53037016
N-[4-(2-amino-2-oxoethyl)phenyl]-2-(4-propan-2-ylphenyl)-1,3-thiazole-4-carboxamide
CID 31861373
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
2-(3-ethoxyphenyl)-N-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 46066487
2-(4-chlorophenyl)-N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-1,3-thiazole-4-carboxamide
CID 134030235
N-[4-(propan-2-ylcarbamoylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 38197538

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide (CID 55865804) is 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2nc(C(=O)Nc3ccc(C(=O)NC(C)C)cc3)cs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FJJHTMWQRBFLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c1-13(2)22-19(25)15-8-10-17(11-9-15)23-20(26)18-12-27-21(24-18)16-6-4-14(3)5-7-16/h4-13H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[4-(propan-2-ylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55865804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).