2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide

C24H20N4O2S — CID 41158629

IUPAC2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-22(27-21-14-8-7-13-20(21)17-9-3-1-4-10-17)15-19-16-31-24(26-19)28-23(30)25-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,29)(H2,25,26,28,30)
InChIKeyXWOQGEGAMBZHSQ-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.64
Rot. Bonds6

About 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide

2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide (PubChem CID 41158629) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
PubChem CID41158629
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide
SMILESO=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N4O2S/c29-22(27-21-14-8-7-13-20(21)17-9-3-1-4-10-17)15-19-16-31-24(26-19)28-23(30)25-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,29)(H2,25,26,28,30)
InChIKeyXWOQGEGAMBZHSQ-UHFFFAOYSA-N
XLogP5.64
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[4-[2-oxo-2-(2-phenylanilino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 41213333
2-(2-methyl-1,3-thiazol-4-yl)-N-(2-phenylphenyl)acetamide
CID 29454554
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-propylacetamide
CID 18567678
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
N-naphthalen-1-yl-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453444
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
2-[2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 10916868
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
hydroxylamine;2-[2-(methylamino)-1,3-thiazol-4-yl]-N-(4-phenylphenyl)acetamide
CID 156706883
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-[4-[2-(2-anilinoanilino)-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 112771279

Frequently Asked Questions

What is the IUPAC name of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide?
The IUPAC name of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide (CID 41158629) is 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide.
What is the SMILES notation for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide?
The canonical SMILES for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide is O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide?
The InChIKey is XWOQGEGAMBZHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-22(27-21-14-8-7-13-20(21)17-9-3-1-4-10-17)15-19-16-31-24(26-19)28-23(30)25-18-11-5-2-6-12-18/h1-14,16H,15H2,(H,27,29)(H2,25,26,28,30).
What are the key properties of 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide?
2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide has a molecular weight of 428.52 g/mol, XLogP of 5.64, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]-N-(2-phenylphenyl)acetamide is sourced from PubChem (CID 41158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).