N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C20H19FN4O2S — CID 41211904

IUPACN-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C20H19FN4O2S/c1-12-3-6-16(9-13(12)2)22-18(26)10-17-11-28-20(24-17)25-19(27)23-15-7-4-14(21)5-8-15/h3-9,11H,10H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyCSDIKSVFJPFJHQ-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.72
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 41211904) has the molecular formula C20H19FN4O2S and a molecular weight of 398.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID41211904
Molecular FormulaC20H19FN4O2S
Molecular Weight398.46 g/mol
Exact Mass398.12
IUPAC NameN-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1C
InChIInChI=1S/C20H19FN4O2S/c1-12-3-6-16(9-13(12)2)22-18(26)10-17-11-28-20(24-17)25-19(27)23-15-7-4-14(21)5-8-15/h3-9,11H,10H2,1-2H3,(H,22,26)(H2,23,24,25,27)
InChIKeyCSDIKSVFJPFJHQ-UHFFFAOYSA-N
XLogP4.72
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567512
N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
ethyl 4-[[2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetyl]amino]benzoate
CID 41211886
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-pentylacetamide
CID 41211843
2-[2-(cyclohexylcarbamoylamino)-1,3-thiazol-4-yl]-N-(3,4-dimethylphenyl)acetamide
CID 43996976
N-(2,5-dimethoxyphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211910
N-(3-chloro-2-methylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211916
N-(4-methoxy-3-methylphenyl)-2-[2-[(3-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567571
2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 41159444
1-(3,4-dimethylphenyl)-3-(4-fluorophenyl)urea
CID 27870039
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 41211904) is N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(F)cc3)n2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is CSDIKSVFJPFJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2S/c1-12-3-6-16(9-13(12)2)22-18(26)10-17-11-28-20(24-17)25-19(27)23-15-7-4-14(21)5-8-15/h3-9,11H,10H2,1-2H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 398.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 41211904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).