N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

C18H17FN2O2S — CID 86929371

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)Cc3cccc(F)c3)cs2)o1
InChIInChI=1S/C18H17FN2O2S/c1-12-6-7-16(23-12)18-20-15(11-24-18)9-17(22)21(2)10-13-4-3-5-14(19)8-13/h3-8,11H,9-10H2,1-2H3
InChIKeyQAUBPGHNLFLONN-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.05
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 86929371) has the molecular formula C18H17FN2O2S and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID86929371
Molecular FormulaC18H17FN2O2S
Molecular Weight344.41 g/mol
Exact Mass344.10
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)N(C)Cc3cccc(F)c3)cs2)o1
InChIInChI=1S/C18H17FN2O2S/c1-12-6-7-16(23-12)18-20-15(11-24-18)9-17(22)21(2)10-13-4-3-5-14(19)8-13/h3-8,11H,9-10H2,1-2H3
InChIKeyQAUBPGHNLFLONN-UHFFFAOYSA-N
XLogP4.05
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 46636397
2-(3-fluorophenyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110718186
N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 33290955
N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 86929464
2-(3-fluorophenyl)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]acetamide
CID 110714525
2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 28819374
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-fluorophenyl)methyl]-N-methylacetamide
CID 75459712
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 51114822
2-[cyclopropyl-[2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 119195381
N-[1-(2,4-difluorophenyl)ethyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 55606293
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(3-bromophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 38041197

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide (CID 86929371) is N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is Cc1ccc(-c2nc(CC(=O)N(C)Cc3cccc(F)c3)cs2)o1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is QAUBPGHNLFLONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2S/c1-12-6-7-16(23-12)18-20-15(11-24-18)9-17(22)21(2)10-13-4-3-5-14(19)8-13/h3-8,11H,9-10H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 344.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 86929371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).