N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide

C14H13FN4OS — CID 108751609

IUPACN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1sc2nc(NC(=O)Cc3ccc(F)cc3)nn2c1C
InChIInChI=1S/C14H13FN4OS/c1-8-9(2)21-14-17-13(18-19(8)14)16-12(20)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,18,20)
InChIKeyYTNUOGWKIDVMBG-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds3

About N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide

N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide (PubChem CID 108751609) has the molecular formula C14H13FN4OS and a molecular weight of 304.35 g/mol. Its IUPAC name is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide
PubChem CID108751609
Molecular FormulaC14H13FN4OS
Molecular Weight304.35 g/mol
Exact Mass304.08
IUPAC NameN-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide
SMILESCc1sc2nc(NC(=O)Cc3ccc(F)cc3)nn2c1C
InChIInChI=1S/C14H13FN4OS/c1-8-9(2)21-14-17-13(18-19(8)14)16-12(20)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,18,20)
InChIKeyYTNUOGWKIDVMBG-UHFFFAOYSA-N
XLogP2.73
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-acetamidophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108727720
3-(4-chlorophenyl)-N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108727655
phenyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727693
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108727703
2-(4-fluorophenyl)-N-[2-[2-(4-fluorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]ethyl]acetamide
CID 7287107
prop-2-enyl N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727687
2-(4-fluorophenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 808377
2-(4-fluorophenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 2640845
N-[6-(4-fluorophenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]propanamide
CID 108728321
2-[2-[[2-(4-fluorophenyl)acetyl]amino]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 93206259
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-fluorophenyl)acetamide
CID 38199854
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 7597284

Frequently Asked Questions

What is the IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide (CID 108751609) is N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide is Cc1sc2nc(NC(=O)Cc3ccc(F)cc3)nn2c1C.
What is the InChIKey of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide?
The InChIKey is YTNUOGWKIDVMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4OS/c1-8-9(2)21-14-17-13(18-19(8)14)16-12(20)7-10-3-5-11(15)6-4-10/h3-6H,7H2,1-2H3,(H,16,18,20).
What are the key properties of N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide?
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 108751609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).