4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole

C15H13ClFN3S — CID 60872746

IUPAC4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1cnn(Cc2ccc(-c3nc(CCl)cs3)cc2F)c1
InChIInChI=1S/C15H13ClFN3S/c1-10-6-18-20(7-10)8-12-3-2-11(4-14(12)17)15-19-13(5-16)9-21-15/h2-4,6-7,9H,5,8H2,1H3
InChIKeyFHQWKEBLNXCLNH-UHFFFAOYSA-N
MW321.81 g/mol
LogP4.24
Rot. Bonds4

About 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole

4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole (PubChem CID 60872746) has the molecular formula C15H13ClFN3S and a molecular weight of 321.81 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole
PubChem CID60872746
Molecular FormulaC15H13ClFN3S
Molecular Weight321.81 g/mol
Exact Mass321.05
IUPAC Name4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole
SMILESCc1cnn(Cc2ccc(-c3nc(CCl)cs3)cc2F)c1
InChIInChI=1S/C15H13ClFN3S/c1-10-6-18-20(7-10)8-12-3-2-11(4-14(12)17)15-19-13(5-16)9-21-15/h2-4,6-7,9H,5,8H2,1H3
InChIKeyFHQWKEBLNXCLNH-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-[[4-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-fluorophenyl]methyl]-1,3-thiazol-2-one
CID 63312270
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-(chloromethyl)-1,3-thiazole
CID 61034902
1-[(4-chloro-2-fluorophenyl)methyl]-4-(chloromethyl)pyrazole
CID 114859114
2-(3-chloro-5-fluorophenyl)-4-(chloromethyl)-1,3-thiazole
CID 114453845
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[2-(4-methylpyrazol-1-yl)ethyl]acetamide
CID 114131593
[5-fluoro-2-[(4-methylpyrazol-1-yl)methyl]phenyl]boronic acid
CID 54971022
N-[(4-chloro-2-fluorophenyl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 105352551
6-[4-(chloromethyl)-1,3-thiazol-2-yl]-2-methyl-1,3-benzoxazole
CID 116888966
1-[(2,4-difluorophenyl)methyl]-N-methylpyrazol-4-amine
CID 175351355
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
4-(chloromethyl)-2-[4-[(2-methylimidazol-1-yl)methyl]phenyl]-1,3-thiazole
CID 43320562
5-fluoro-2-[(4-methylpyrazol-1-yl)methyl]benzoic acid
CID 55172128

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole?
The IUPAC name of 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole (CID 60872746) is 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole.
What is the SMILES notation for 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole?
The canonical SMILES for 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole is Cc1cnn(Cc2ccc(-c3nc(CCl)cs3)cc2F)c1.
What is the InChIKey of 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole?
The InChIKey is FHQWKEBLNXCLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3S/c1-10-6-18-20(7-10)8-12-3-2-11(4-14(12)17)15-19-13(5-16)9-21-15/h2-4,6-7,9H,5,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole?
4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole has a molecular weight of 321.81 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[3-fluoro-4-[(4-methylpyrazol-1-yl)methyl]phenyl]-1,3-thiazole is sourced from PubChem (CID 60872746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).