N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine

C17H12F3N3OS — CID 129201804

IUPACN,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine
SMILESCN(C)c1nc2c(ccc3oc(-c4ccc(C(F)(F)F)cc4)nc32)s1
InChIInChI=1S/C17H12F3N3OS/c1-23(2)16-22-14-12(25-16)8-7-11-13(14)21-15(24-11)9-3-5-10(6-4-9)17(18,19)20/h3-8H,1-2H3
InChIKeyJECDTLJLXIUJOD-UHFFFAOYSA-N
MW363.36 g/mol
LogP5.19
Rot. Bonds2

About N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine

N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine (PubChem CID 129201804) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine
PubChem CID129201804
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine
SMILESCN(C)c1nc2c(ccc3oc(-c4ccc(C(F)(F)F)cc4)nc32)s1
InChIInChI=1S/C17H12F3N3OS/c1-23(2)16-22-14-12(25-16)8-7-11-13(14)21-15(24-11)9-3-5-10(6-4-9)17(18,19)20/h3-8H,1-2H3
InChIKeyJECDTLJLXIUJOD-UHFFFAOYSA-N
XLogP5.19
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201833
4-chloro-6-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole;ethane
CID 145013765
4-methyl-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 163494197
2-(4-methylphenyl)-7-[2-[4-(trifluoromethyl)phenyl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazol-7-yl]-[1,3]benzoxazolo[6,5-f][1,3]benzoxazole
CID 170372832
5,7-dichloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine;N,N-dimethylformamide
CID 158413149
4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine
CID 58003590
7-methyl-2-[4-(trifluoromethyl)phenyl]thieno[3,2-d][1,3]oxazin-4-one
CID 68833585
N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 58003548
2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazole-5-carbaldehyde
CID 145125429
[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]methanamine
CID 82357703
4-chloro-2-pyridin-4-yl-5-(trifluoromethyl)-1,3-benzoxazole
CID 66880978
7-chloro-2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-amine
CID 129201835

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine?
The IUPAC name of N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine (CID 129201804) is N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine is CN(C)c1nc2c(ccc3oc(-c4ccc(C(F)(F)F)cc4)nc32)s1.
What is the InChIKey of N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine?
The InChIKey is JECDTLJLXIUJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c1-23(2)16-22-14-12(25-16)8-7-11-13(14)21-15(24-11)9-3-5-10(6-4-9)17(18,19)20/h3-8H,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine?
N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine has a molecular weight of 363.36 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine is sourced from PubChem (CID 129201804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).