4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine

C16H12F6N2OS — CID 58003590

IUPAC4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine
SMILESCN(C)c1nc2c(-c3ccc(C(C(F)(F)F)C(F)(F)F)o3)cccc2s1
InChIInChI=1S/C16H12F6N2OS/c1-24(2)14-23-12-8(4-3-5-11(12)26-14)9-6-7-10(25-9)13(15(17,18)19)16(20,21)22/h3-7,13H,1-2H3
InChIKeyKHSAMLWGXFGXKJ-UHFFFAOYSA-N
MW394.34 g/mol
LogP5.83
Rot. Bonds3

About 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine

4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine (PubChem CID 58003590) has the molecular formula C16H12F6N2OS and a molecular weight of 394.34 g/mol. Its IUPAC name is 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine
PubChem CID58003590
Molecular FormulaC16H12F6N2OS
Molecular Weight394.34 g/mol
Exact Mass394.06
IUPAC Name4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine
SMILESCN(C)c1nc2c(-c3ccc(C(C(F)(F)F)C(F)(F)F)o3)cccc2s1
InChIInChI=1S/C16H12F6N2OS/c1-24(2)14-23-12-8(4-3-5-11(12)26-14)9-6-7-10(25-9)13(15(17,18)19)16(20,21)22/h3-7,13H,1-2H3
InChIKeyKHSAMLWGXFGXKJ-UHFFFAOYSA-N
XLogP5.83
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.34
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,3-benzothiazol-2-amine
CID 58003548
N,N-dimethyl-2-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[4,5-e][1,3]benzoxazol-7-amine
CID 129201804
2-[[2-(dimethylamino)-1,3-benzothiazol-4-yl]oxy]ethane-1,1-diamine;dihydrochloride
CID 68551844
(2S)-2-[5-(4-chloro-1,3-benzothiazol-2-yl)furan-2-yl]-2-hydroxyacetonitrile
CID 101236232
4-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,3-benzothiazole
CID 58003581
4-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-benzothiazole
CID 66836122
1-[5-[2-(trifluoromethyl)phenyl]furan-2-yl]propan-1-ol
CID 55097829
2-[methyl-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]-N-(1-phenylethyl)acetamide
CID 71790428
N-[2-(dimethylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)-N-(4-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 41343839
2-[(4-chloro-1,3-benzothiazol-2-yl)-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 71790414
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-(furan-2-ylmethyl)-2-(4-phenylphenyl)-N-[4-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetamide
CID 121055053

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine?
The IUPAC name of 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine (CID 58003590) is 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine is CN(C)c1nc2c(-c3ccc(C(C(F)(F)F)C(F)(F)F)o3)cccc2s1.
What is the InChIKey of 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine?
The InChIKey is KHSAMLWGXFGXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N2OS/c1-24(2)14-23-12-8(4-3-5-11(12)26-14)9-6-7-10(25-9)13(15(17,18)19)16(20,21)22/h3-7,13H,1-2H3.
What are the key properties of 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine?
4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine has a molecular weight of 394.34 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,1,1,3,3,3-hexafluoropropan-2-yl)furan-2-yl]-N,N-dimethyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 58003590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).