2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole

C14H12BrClF3NOS — CID 167489254

IUPAC2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1sc(Br)nc1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H12BrClF3NOS/c1-7(2)5-11-12(20-13(15)22-11)8-3-4-10(9(16)6-8)21-14(17,18)19/h3-4,6-7H,5H2,1-2H3
InChIKeyXMTOPFYJJCVHGH-UHFFFAOYSA-N
MW414.67 g/mol
LogP6.32
Rot. Bonds4

About 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole

2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (PubChem CID 167489254) has the molecular formula C14H12BrClF3NOS and a molecular weight of 414.67 g/mol. Its IUPAC name is 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.

Molecular Properties

Compound Name2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
PubChem CID167489254
Molecular FormulaC14H12BrClF3NOS
Molecular Weight414.67 g/mol
Exact Mass412.95
IUPAC Name2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
SMILESCC(C)Cc1sc(Br)nc1-c1ccc(OC(F)(F)F)c(Cl)c1
InChIInChI=1S/C14H12BrClF3NOS/c1-7(2)5-11-12(20-13(15)22-11)8-3-4-10(9(16)6-8)21-14(17,18)19/h3-4,6-7H,5H2,1-2H3
InChIKeyXMTOPFYJJCVHGH-UHFFFAOYSA-N
XLogP6.32
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.67
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 164893356
2-chloro-4-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489101
4-[4-(bromomethyl)phenyl]-2-chloro-1-(trifluoromethoxy)benzene
CID 44627771
2-chloro-4-[4-chloro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489349
2-bromo-5-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]benzoic acid
CID 156849580
4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-methoxypyrimidine
CID 46831438
2-chloro-4-[4-fluoro-3-(2-methoxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489213
2-chloro-4-[4-fluoro-3-(2-propan-2-yloxyethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole
CID 167489206
ethane;N-[4-[3-hydroxy-4-(trifluoromethyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]acetamide
CID 167489119
2-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazole
CID 175748253
[5-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-2-hydroxyphenyl] formate
CID 166023428
4-(4-bromophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-amine
CID 166023438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The IUPAC name of 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole (CID 167489254) is 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole.
What is the SMILES notation for 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The canonical SMILES for 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is CC(C)Cc1sc(Br)nc1-c1ccc(OC(F)(F)F)c(Cl)c1.
What is the InChIKey of 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
The InChIKey is XMTOPFYJJCVHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF3NOS/c1-7(2)5-11-12(20-13(15)22-11)8-3-4-10(9(16)6-8)21-14(17,18)19/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole?
2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole has a molecular weight of 414.67 g/mol, XLogP of 6.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[3-chloro-4-(trifluoromethoxy)phenyl]-5-(2-methylpropyl)-1,3-thiazole is sourced from PubChem (CID 167489254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).