N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

C17H12ClF3N2OS — CID 58910459

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H12ClF3N2OS/c1-24-15-5-3-2-4-11(15)14-9-25-16(23-14)22-10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyJJARKNQNVARWTG-UHFFFAOYSA-N
MW384.81 g/mol
LogP6.23
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58910459) has the molecular formula C17H12ClF3N2OS and a molecular weight of 384.81 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58910459
Molecular FormulaC17H12ClF3N2OS
Molecular Weight384.81 g/mol
Exact Mass384.03
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1-c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1
InChIInChI=1S/C17H12ClF3N2OS/c1-24-15-5-3-2-4-11(15)14-9-25-16(23-14)22-10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3,(H,22,23)
InChIKeyJJARKNQNVARWTG-UHFFFAOYSA-N
XLogP6.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.81
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 5168594
4-(2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962541
4-(2-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 4806347
4-(2-chlorophenyl)-N-[4-pentoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 58791993
4-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzene-1,4-diamine
CID 25101048
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791500
N-(1,3-benzodioxol-5-yl)-4-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 70696152
2-[4-chloro-3-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 59802438
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
2,2,2-trifluoro-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19226274
3-N-[4-chloro-3-(trifluoromethyl)phenyl]-5-N-(2-methoxyphenyl)-1,2,4-triazine-3,5-diamine
CID 112967106
N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 58911134

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine (CID 58910459) is N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is COc1ccccc1-c1csc(Nc2ccc(Cl)c(C(F)(F)F)c2)n1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is JJARKNQNVARWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N2OS/c1-24-15-5-3-2-4-11(15)14-9-25-16(23-14)22-10-6-7-13(18)12(8-10)17(19,20)21/h2-9H,1H3,(H,22,23).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine?
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 384.81 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(2-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58910459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).