N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

C14H15F3N2S2 — CID 43782778

IUPACN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCc1ncsc1C(C)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C14H15F3N2S2/c1-9-13(21-8-18-9)10(2)19-11-5-3-4-6-12(11)20-7-14(15,16)17/h3-6,8,10,19H,7H2,1-2H3
InChIKeySTSZXQNGOPKFMF-UHFFFAOYSA-N
MW332.42 g/mol
LogP5.28
Rot. Bonds5

About N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline

N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (PubChem CID 43782778) has the molecular formula C14H15F3N2S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.

Molecular Properties

Compound NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
PubChem CID43782778
Molecular FormulaC14H15F3N2S2
Molecular Weight332.42 g/mol
Exact Mass332.06
IUPAC NameN-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
SMILESCc1ncsc1C(C)Nc1ccccc1SCC(F)(F)F
InChIInChI=1S/C14H15F3N2S2/c1-9-13(21-8-18-9)10(2)19-11-5-3-4-6-12(11)20-7-14(15,16)17/h3-6,8,10,19H,7H2,1-2H3
InChIKeySTSZXQNGOPKFMF-UHFFFAOYSA-N
XLogP5.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline 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

2-[2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]phenyl]sulfanylacetamide
CID 43786501
N-[1-(5-bromothiophen-2-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63433281
N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43756143
N-methyl-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 63091072
2,6-dibromo-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107597040
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 43760127
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-4-(trifluoromethylsulfanyl)aniline
CID 43786006
2,4-difluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43763933
4-methoxy-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(trifluoromethyl)aniline
CID 43779859
2,4-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 43755779
2-chloro-5-fluoro-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]aniline
CID 107527119

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The IUPAC name of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline (CID 43782778) is N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline.
What is the SMILES notation for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The canonical SMILES for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is Cc1ncsc1C(C)Nc1ccccc1SCC(F)(F)F.
What is the InChIKey of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
The InChIKey is STSZXQNGOPKFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2S2/c1-9-13(21-8-18-9)10(2)19-11-5-3-4-6-12(11)20-7-14(15,16)17/h3-6,8,10,19H,7H2,1-2H3.
What are the key properties of N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline?
N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline has a molecular weight of 332.42 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-2-(2,2,2-trifluoroethylsulfanyl)aniline is sourced from PubChem (CID 43782778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).