N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine

C11H13N3S — CID 65269019

IUPACN-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCc2ccccc2)ns1
InChIInChI=1S/C11H13N3S/c1-12-11-13-10(14-15-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeySBPBDCVYVGBREH-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.37
Rot. Bonds4

About N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine

N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65269019) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
PubChem CID65269019
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC NameN-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
SMILESCNc1nc(CCc2ccccc2)ns1
InChIInChI=1S/C11H13N3S/c1-12-11-13-10(14-15-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14)
InChIKeySBPBDCVYVGBREH-UHFFFAOYSA-N
XLogP2.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-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-(2-methoxyethyl)-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine
CID 65267766
3-[(3-fluorophenyl)methyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 65269198
3-N-(3-benzyl-1,2,4-thiadiazol-5-yl)butane-2,3-diamine
CID 143676361
N-[3-(2-aminoethyl)-1,2,4-thiadiazol-5-yl]-3-phenylpropanamide
CID 167839111
3-[(2-fluorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66083854
5-iodo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66306895
6-ethyl-N-methyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 62190210
5-bromo-N,6-dimethyl-2-(2-phenylethyl)pyrimidin-4-amine
CID 66305262
2-(2-phenylethyl)-4-propan-2-yl-1,3-thiazole
CID 115618223
benzene;2-phenylethylbenzene
CID 18982764
2-N-(3-ethyl-1,2,4-thiadiazol-5-yl)-3-phenylpropane-1,2-diamine
CID 65277594
3-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-1,2,4-thiadiazol-5-amine
CID 66144604

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine (CID 65269019) is N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine is CNc1nc(CCc2ccccc2)ns1.
What is the InChIKey of N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is SBPBDCVYVGBREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-12-11-13-10(14-15-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,13,14).
What are the key properties of N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine?
N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 219.31 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-phenylethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65269019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).