N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide

C19H16ClFN2OS — CID 46942800

IUPACN-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C19H16ClFN2OS/c1-12(24)23-19(2,14-6-4-3-5-7-14)18-22-17(11-25-18)13-8-9-16(21)15(20)10-13/h3-11H,1-2H3,(H,23,24)
InChIKeyPSXSRQALCBGSQS-UHFFFAOYSA-N
MW374.87 g/mol
LogP5.00
Rot. Bonds4

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

N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide (PubChem CID 46942800) has the molecular formula C19H16ClFN2OS and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
PubChem CID46942800
Molecular FormulaC19H16ClFN2OS
Molecular Weight374.87 g/mol
Exact Mass374.07
IUPAC NameN-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
SMILESCC(=O)NC(C)(c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C19H16ClFN2OS/c1-12(24)23-19(2,14-6-4-3-5-7-14)18-22-17(11-25-18)13-8-9-16(21)15(20)10-13/h3-11H,1-2H3,(H,23,24)
InChIKeyPSXSRQALCBGSQS-UHFFFAOYSA-N
XLogP5.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.87
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[[4-(4-fluorophenyl)-2-thiazolyl]thio]acetamide
CID 2503365
N-{2-[(Z)-2-(3-Chloro-phenyl)-1-cyano-vinyl]-4-p-tolyl-thiazol-5-yl}-acetamide
CID 12005721
N1-(3-chloro-4-fluorophenyl)-N2-(2-(4-methyl-2-phenylthiazol-5-yl)ethyl)oxalamide
CID 16031938
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 25163247
N-[(3,4-difluorophenyl)-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 46942841
N-[1-[4-(3-cyanophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide
CID 46948319
N-[(3-fluorophenyl)-[4-(2-methylphenyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 49778216
N-[2-(4-chlorophenyl)-4-phenyl-1,3-thiazol-5-yl]acetamide
CID 888932
N-[(3-fluorophenyl)-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 46942590
N-[[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-(3,4-difluorophenyl)methyl]acetamide
CID 46942758
N-[1-phenyl-1-[4-[(E)-2-phenylethenyl]-1,3-thiazol-2-yl]ethyl]acetamide
CID 46942806
N-[[4-(2-methylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]acetamide
CID 46943493

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The IUPAC name of N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide (CID 46942800) is N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide.
What is the SMILES notation for N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The canonical SMILES for N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide is CC(=O)NC(C)(c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
The InChIKey is PSXSRQALCBGSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2OS/c1-12(24)23-19(2,14-6-4-3-5-7-14)18-22-17(11-25-18)13-8-9-16(21)15(20)10-13/h3-11H,1-2H3,(H,23,24).
What are the key properties of N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide?
N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-1-phenylethyl]acetamide is sourced from PubChem (CID 46942800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).