N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

C18H15F3N2O2S — CID 1150015

IUPACN-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C18H15F3N2O2S/c1-24-12-8-9-13(14(10-12)25-2)22-17-23-16(18(19,20)21)15(26-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23)
InChIKeyUPQBSYDLGNFNLH-UHFFFAOYSA-N
MW380.39 g/mol
LogP5.59
Rot. Bonds5

About N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 1150015) has the molecular formula C18H15F3N2O2S and a molecular weight of 380.39 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID1150015
Molecular FormulaC18H15F3N2O2S
Molecular Weight380.39 g/mol
Exact Mass380.08
IUPAC NameN-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(OC)c1
InChIInChI=1S/C18H15F3N2O2S/c1-24-12-8-9-13(14(10-12)25-2)22-17-23-16(18(19,20)21)15(26-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23)
InChIKeyUPQBSYDLGNFNLH-UHFFFAOYSA-N
XLogP5.59
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.39
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-tert-butylphenoxy)-6-fluoro-3-pyridinyl]-5-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 172843156
5-(3-chlorophenyl)-N-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 3120295
5-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 46501170
4-N-(2,4-dimethoxyphenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876906
N-(2,4-dimethoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-2-amine
CID 42628931
6-bromo-N-(2,4-dimethoxyphenyl)-2-phenylquinazolin-4-amine
CID 23738095
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
6-N-butyl-4-N-(2,4-dimethoxyphenyl)-2-phenylpyrimidine-4,6-diamine
CID 112879752
2-(2,4-dimethoxyanilino)-N-[2-methoxy-5-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 16955157
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
4-N-(2,4-dimethoxyphenyl)-6-N-(2-fluorophenyl)-2-methylpyrimidine-4,6-diamine
CID 112877821

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 1150015) is N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is COc1ccc(Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is UPQBSYDLGNFNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O2S/c1-24-12-8-9-13(14(10-12)25-2)22-17-23-16(18(19,20)21)15(26-17)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,22,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 380.39 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-phenyl-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1150015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).