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

C15H14FN5OS — CID 56827462

IUPACN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cs1
InChIInChI=1S/C15H14FN5OS/c1-9-18-12(8-23-9)6-14(22)17-7-13-19-15(21-20-13)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyYWEAEUGQYLHEGG-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.23
Rot. Bonds5

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

N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 56827462) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID56827462
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC NameN-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cs1
InChIInChI=1S/C15H14FN5OS/c1-9-18-12(8-23-9)6-14(22)17-7-13-19-15(21-20-13)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,17,22)(H,19,20,21)
InChIKeyYWEAEUGQYLHEGG-UHFFFAOYSA-N
XLogP2.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]acetamide
CID 56523859
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 56789009
3,5-difluoro-N-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methyl]benzamide
CID 126468209
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 16568239
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]acetamide
CID 56524256
4-fluoro-N-[3-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]benzamide
CID 60535431
N-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-2-pyridin-2-ylacetamide
CID 77083716
N-[(2-methylphenyl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31251684
3-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423429
N-(2-chloroprop-2-enyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 115636734
3,5-difluoro-N-[2-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methylamino]-2-oxoethyl]benzamide
CID 56527800
2-[2-[[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]methyl]phenyl]acetic acid
CID 81311652

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 56827462) is N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NCc2nc(-c3ccc(F)cc3)n[nH]2)cs1.
What is the InChIKey of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YWEAEUGQYLHEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS/c1-9-18-12(8-23-9)6-14(22)17-7-13-19-15(21-20-13)10-2-4-11(16)5-3-10/h2-5,8H,6-7H2,1H3,(H,17,22)(H,19,20,21).
What are the key properties of N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 331.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 56827462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).