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

C20H16FN5OS — CID 17491084

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H16FN5OS/c21-17-7-3-14(4-8-17)9-18-10-23-20(28-18)25-19(27)16-5-1-15(2-6-16)11-26-13-22-12-24-26/h1-8,10,12-13H,9,11H2,(H,23,25,27)
InChIKeyDDWXUHFUZOKHTF-UHFFFAOYSA-N
MW393.45 g/mol
LogP3.77
Rot. Bonds6

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

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 17491084) has the molecular formula C20H16FN5OS and a molecular weight of 393.45 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID17491084
Molecular FormulaC20H16FN5OS
Molecular Weight393.45 g/mol
Exact Mass393.11
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H16FN5OS/c21-17-7-3-14(4-8-17)9-18-10-23-20(28-18)25-19(27)16-5-1-15(2-6-16)11-26-13-22-12-24-26/h1-8,10,12-13H,9,11H2,(H,23,25,27)
InChIKeyDDWXUHFUZOKHTF-UHFFFAOYSA-N
XLogP3.77
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 51202299
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-methyl-3-(1,2,4-triazol-1-yl)propanamide
CID 51592080
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55489227
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508382
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23792381
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24628808

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 17491084) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(Cn2cncn2)cc1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is DDWXUHFUZOKHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5OS/c21-17-7-3-14(4-8-17)9-18-10-23-20(28-18)25-19(27)16-5-1-15(2-6-16)11-26-13-22-12-24-26/h1-8,10,12-13H,9,11H2,(H,23,25,27).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 393.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 17491084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).