N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide

C19H16F2N4O2S — CID 18567512

IUPACN-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C19H16F2N4O2S/c1-11-2-4-12(5-3-11)23-18(27)25-19-24-14(10-28-19)9-17(26)22-13-6-7-15(20)16(21)8-13/h2-8,10H,9H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyYSOITXLDBVTKBI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.55
Rot. Bonds5

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

N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (PubChem CID 18567512) has the molecular formula C19H16F2N4O2S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
PubChem CID18567512
Molecular FormulaC19H16F2N4O2S
Molecular Weight402.43 g/mol
Exact Mass402.10
IUPAC NameN-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1
InChIInChI=1S/C19H16F2N4O2S/c1-11-2-4-12(5-3-11)23-18(27)25-19-24-14(10-28-19)9-17(26)22-13-6-7-15(20)16(21)8-13/h2-8,10H,9H2,1H3,(H,22,26)(H2,23,24,25,27)
InChIKeyYSOITXLDBVTKBI-UHFFFAOYSA-N
XLogP4.55
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 18567499
N-(3,4-dimethylphenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211904
N-(3,4-difluorophenyl)-2-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]acetamide
CID 30941160
N-(3-acetamidophenyl)-2-[2-[(4-fluorophenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41211959
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 41158668
2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2-methylsulfanylphenyl)acetamide
CID 41158657
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 18567598
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(3,4-dimethoxyphenyl)acetamide
CID 18567592
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(4-ethylphenyl)acetamide
CID 26841633
N-(5-acetamido-2-methoxyphenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide
CID 41158680
2-[2-(cyclopentylcarbamoylamino)-1,3-thiazol-4-yl]-N-(4-methylphenyl)acetamide
CID 27505510
2-[2-[(4-chlorophenyl)carbamoylamino]-1,3-thiazol-4-yl]-N-(2,6-dimethylphenyl)acetamide
CID 18567591

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide (CID 18567512) is N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(F)c(F)c3)cs2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
The InChIKey is YSOITXLDBVTKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O2S/c1-11-2-4-12(5-3-11)23-18(27)25-19-24-14(10-28-19)9-17(26)22-13-6-7-15(20)16(21)8-13/h2-8,10H,9H2,1H3,(H,22,26)(H2,23,24,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide?
N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[2-[(4-methylphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 18567512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).