N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

C10H11F3N4S3 — CID 119043537

IUPACN-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2sc(C)nc2C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S3/c1-3-14-8-16-17-9(20-8)18-4-6-7(10(11,12)13)15-5(2)19-6/h3-4H2,1-2H3,(H,14,16)
InChIKeyYCCRMYKCHRRTMB-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.05
Rot. Bonds5

About N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 119043537) has the molecular formula C10H11F3N4S3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID119043537
Molecular FormulaC10H11F3N4S3
Molecular Weight340.42 g/mol
Exact Mass340.01
IUPAC NameN-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCNc1nnc(SCc2sc(C)nc2C(F)(F)F)s1
InChIInChI=1S/C10H11F3N4S3/c1-3-14-8-16-17-9(20-8)18-4-6-7(10(11,12)13)15-5(2)19-6/h3-4H2,1-2H3,(H,14,16)
InChIKeyYCCRMYKCHRRTMB-UHFFFAOYSA-N
XLogP4.05
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-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-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 119043537) is N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCNc1nnc(SCc2sc(C)nc2C(F)(F)F)s1.
What is the InChIKey of N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YCCRMYKCHRRTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S3/c1-3-14-8-16-17-9(20-8)18-4-6-7(10(11,12)13)15-5(2)19-6/h3-4H2,1-2H3,(H,14,16).
What are the key properties of N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 340.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 119043537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).