4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

C18H13ClFN5OS — CID 18154709

IUPAC4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(Cn3nnc(-c4cccc(Cl)c4)n3)cs2)cc1
InChIInChI=1S/C18H13ClFN5OS/c19-13-3-1-2-12(8-13)18-22-24-25(23-18)9-15-11-27-17(21-15)10-26-16-6-4-14(20)5-7-16/h1-8,11H,9-10H2
InChIKeyKXIKESWEJXYSMR-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.22
Rot. Bonds6

About 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole

4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (PubChem CID 18154709) has the molecular formula C18H13ClFN5OS and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
PubChem CID18154709
Molecular FormulaC18H13ClFN5OS
Molecular Weight401.85 g/mol
Exact Mass401.05
IUPAC Name4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
SMILESFc1ccc(OCc2nc(Cn3nnc(-c4cccc(Cl)c4)n3)cs2)cc1
InChIInChI=1S/C18H13ClFN5OS/c19-13-3-1-2-12(8-13)18-22-24-25(23-18)9-15-11-27-17(21-15)10-26-16-6-4-14(20)5-7-16/h1-8,11H,9-10H2
InChIKeyKXIKESWEJXYSMR-UHFFFAOYSA-N
XLogP4.22
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-2-pyridin-2-yl-1,3-thiazole
CID 25311503
2-(4-fluorophenyl)-4-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16610877
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-ethyl-N-(4-fluorophenyl)acetamide
CID 18272289
2-(3-bromophenyl)-4-[[5-(3-fluorophenyl)tetrazol-2-yl]methyl]-1,3-thiazole
CID 16611662
4-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 52554108
1-[[2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-4-thiophen-2-yltetrazol-5-one
CID 46516980
3-(3-chlorophenyl)-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-1,2,4-oxadiazole
CID 17490289
3-[2-[(4-fluorophenyl)methyl]tetrazol-5-yl]aniline
CID 119053620
4-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole
CID 112798687
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
5-(3-fluorophenyl)-2-[2-(4-methoxyphenoxy)ethyl]tetrazole
CID 9397244
(2R)-1-(4-fluorophenoxy)-3-(5-phenyltetrazol-2-yl)propan-2-ol
CID 94797788

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The IUPAC name of 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole (CID 18154709) is 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The canonical SMILES for 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is Fc1ccc(OCc2nc(Cn3nnc(-c4cccc(Cl)c4)n3)cs2)cc1.
What is the InChIKey of 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
The InChIKey is KXIKESWEJXYSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN5OS/c19-13-3-1-2-12(8-13)18-22-24-25(23-18)9-15-11-27-17(21-15)10-26-16-6-4-14(20)5-7-16/h1-8,11H,9-10H2.
What are the key properties of 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole?
4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole has a molecular weight of 401.85 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]-2-[(4-fluorophenoxy)methyl]-1,3-thiazole is sourced from PubChem (CID 18154709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).