4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole

C13H14FNOS — CID 59333191

IUPAC4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C(C)C)n2)cc1F
InChIInChI=1S/C13H14FNOS/c1-8(2)13-15-11(7-17-13)9-4-5-12(16-3)10(14)6-9/h4-8H,1-3H3
InChIKeyPPTOSBINTPCLMM-UHFFFAOYSA-N
MW251.33 g/mol
LogP4.08
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole

4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 59333191) has the molecular formula C13H14FNOS and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
PubChem CID59333191
Molecular FormulaC13H14FNOS
Molecular Weight251.33 g/mol
Exact Mass251.08
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole
SMILESCOc1ccc(-c2csc(C(C)C)n2)cc1F
InChIInChI=1S/C13H14FNOS/c1-8(2)13-15-11(7-17-13)9-4-5-12(16-3)10(14)6-9/h4-8H,1-3H3
InChIKeyPPTOSBINTPCLMM-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-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

1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4613320
4-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 31263109
4-(3-fluoro-4-methoxyphenyl)-1,3-thiazole-2-carbothioamide
CID 73253852
4-(8-fluoro-7-methoxyquinolin-2-yl)-2-propan-2-yl-1,3-thiazole
CID 91438319
4-(3-fluoro-4-methoxyphenyl)-2-(2-methylsulfanyl-4-pyridinyl)-1,3-thiazole
CID 103597527
1-[4-(4-ethoxy-3-fluorophenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3616998
1-[4-(3-chloro-4-methoxyphenyl)-1,3-thiazol-2-yl]ethanamine
CID 5162652
4-[(3-fluoro-4-methoxyphenoxy)methyl]-2-propan-2-yl-1,3-thiazole
CID 86850292
2-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-thiophen-2-yl-1,3-thiazole
CID 46245962
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
1-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 55132526
4-phenyl-2-propan-2-yl-1,3-thiazole
CID 604821

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole (CID 59333191) is 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is COc1ccc(-c2csc(C(C)C)n2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is PPTOSBINTPCLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNOS/c1-8(2)13-15-11(7-17-13)9-4-5-12(16-3)10(14)6-9/h4-8H,1-3H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole?
4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 251.33 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyphenyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 59333191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).