2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole

C18H13FN4S — CID 158458323

IUPAC2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(-c2cccc(-c3ncn[nH]3)c2)cs1
InChIInChI=1S/C18H13FN4S/c19-15-7-2-1-4-12(15)9-17-22-16(10-24-17)13-5-3-6-14(8-13)18-20-11-21-23-18/h1-8,10-11H,9H2,(H,20,21,23)
InChIKeyWWIRRUWVQZXLLI-UHFFFAOYSA-N
MW336.40 g/mol
LogP4.33
Rot. Bonds4

About 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole

2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole (PubChem CID 158458323) has the molecular formula C18H13FN4S and a molecular weight of 336.40 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
PubChem CID158458323
Molecular FormulaC18H13FN4S
Molecular Weight336.40 g/mol
Exact Mass336.08
IUPAC Name2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole
SMILESFc1ccccc1Cc1nc(-c2cccc(-c3ncn[nH]3)c2)cs1
InChIInChI=1S/C18H13FN4S/c19-15-7-2-1-4-12(15)9-17-22-16(10-24-17)13-5-3-6-14(8-13)18-20-11-21-23-18/h1-8,10-11H,9H2,(H,20,21,23)
InChIKeyWWIRRUWVQZXLLI-UHFFFAOYSA-N
XLogP4.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]aniline
CID 39164058
3-fluoro-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]phenol
CID 83130460
4-(3-chlorophenyl)-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 55152978
4-[3-(difluoromethoxy)phenyl]-2-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
CID 62946114
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342
5-(3-fluorophenyl)-1H-1,2,4-triazole
CID 53264352
3-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl]-3-hydroxy-1-(1H-1,2,4-triazol-5-yl)prop-2-en-1-one
CID 69138574
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 62900544
3-[2-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-4-yl]benzonitrile
CID 63152144
4-cyclopropyl-2-[(2-fluorophenyl)methyl]-1,3-thiazole
CID 112691564
3-[4-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 174435475
2-[(4-fluorophenyl)methyl]-4-phenyl-1,3-thiazole
CID 47173323

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole?
The IUPAC name of 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole (CID 158458323) is 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole?
The canonical SMILES for 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole is Fc1ccccc1Cc1nc(-c2cccc(-c3ncn[nH]3)c2)cs1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole?
The InChIKey is WWIRRUWVQZXLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4S/c19-15-7-2-1-4-12(15)9-17-22-16(10-24-17)13-5-3-6-14(8-13)18-20-11-21-23-18/h1-8,10-11H,9H2,(H,20,21,23).
What are the key properties of 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole?
2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole has a molecular weight of 336.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl]-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-thiazole is sourced from PubChem (CID 158458323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).