N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

C19H18FN3OS — CID 24505657

IUPACN-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3ccc(C)c(F)c3)n2)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-3-8-16(9-17(12)20)22-19-23-18(11-25-19)15-6-4-14(5-7-15)10-21-13(2)24/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMSQVEHOLQDMPRV-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.64
Rot. Bonds5

About N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide

N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 24505657) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID24505657
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC NameN-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(Nc3ccc(C)c(F)c3)n2)cc1
InChIInChI=1S/C19H18FN3OS/c1-12-3-8-16(9-17(12)20)22-19-23-18(11-25-19)15-6-4-14(5-7-15)10-21-13(2)24/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyMSQVEHOLQDMPRV-UHFFFAOYSA-N
XLogP4.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343278
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[[4-[2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108776313
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412
N-[2-[[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 24597218
5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-1,3-dihydrobenzimidazol-2-one
CID 24505655
3-fluoro-4-methyl-N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]benzamide
CID 25397907
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-4-chlorobenzamide
CID 42568023
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2-phenylacetamide
CID 108762419

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 24505657) is N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(Nc3ccc(C)c(F)c3)n2)cc1.
What is the InChIKey of N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is MSQVEHOLQDMPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-12-3-8-16(9-17(12)20)22-19-23-18(11-25-19)15-6-4-14(5-7-15)10-21-13(2)24/h3-9,11H,10H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 24505657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).