N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine

C14H3Cl2F13N2S — CID 54302763

IUPACN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(=C1SC(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)=NC1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H3Cl2F13N2S/c15-4-1-3(11(18,19)20)2-5(16)6(4)30-9-31-10(13(24,25)26,14(27,28)29)8(32-9)7(17)12(21,22)23/h1-2H,(H,30,31)
InChIKeySFKACWNACJHVCE-UHFFFAOYSA-N
MW549.14 g/mol
LogP8.13
Rot. Bonds1

About N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine

N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 54302763) has the molecular formula C14H3Cl2F13N2S and a molecular weight of 549.14 g/mol. Its IUPAC name is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID54302763
Molecular FormulaC14H3Cl2F13N2S
Molecular Weight549.14 g/mol
Exact Mass547.92
IUPAC NameN-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESFC(=C1SC(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)=NC1(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H3Cl2F13N2S/c15-4-1-3(11(18,19)20)2-5(16)6(4)30-9-31-10(13(24,25)26,14(27,28)29)8(32-9)7(17)12(21,22)23/h1-2H,(H,30,31)
InChIKeySFKACWNACJHVCE-UHFFFAOYSA-N
XLogP8.13
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.14
LogP ≤ 58.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-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

Frequently Asked Questions

What is the IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine (CID 54302763) is N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is FC(=C1SC(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)=NC1(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is SFKACWNACJHVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3Cl2F13N2S/c15-4-1-3(11(18,19)20)2-5(16)6(4)30-9-31-10(13(24,25)26,14(27,28)29)8(32-9)7(17)12(21,22)23/h1-2H,(H,30,31).
What are the key properties of N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine?
N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 549.14 g/mol, XLogP of 8.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(1,2,2,2-tetrafluoroethylidene)-4,4-bis(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 54302763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).