N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

C18H24N2OS2 — CID 87033751

IUPACN-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2c(C)cccc2C)cs1
InChIInChI=1S/C18H24N2OS2/c1-5-7-16-19-15(11-23-16)10-22-14(4)18(21)20-17-12(2)8-6-9-13(17)3/h6,8-9,11,14H,5,7,10H2,1-4H3,(H,20,21)
InChIKeyXSKSJJINQBLPLS-UHFFFAOYSA-N
MW348.54 g/mol
LogP4.97
Rot. Bonds7

About N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide

N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (PubChem CID 87033751) has the molecular formula C18H24N2OS2 and a molecular weight of 348.54 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
PubChem CID87033751
Molecular FormulaC18H24N2OS2
Molecular Weight348.54 g/mol
Exact Mass348.13
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide
SMILESCCCc1nc(CSC(C)C(=O)Nc2c(C)cccc2C)cs1
InChIInChI=1S/C18H24N2OS2/c1-5-7-16-19-15(11-23-16)10-22-14(4)18(21)20-17-12(2)8-6-9-13(17)3/h6,8-9,11,14H,5,7,10H2,1-4H3,(H,20,21)
InChIKeyXSKSJJINQBLPLS-UHFFFAOYSA-N
XLogP4.97
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide 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-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide (CID 87033751) is N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is CCCc1nc(CSC(C)C(=O)Nc2c(C)cccc2C)cs1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
The InChIKey is XSKSJJINQBLPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS2/c1-5-7-16-19-15(11-23-16)10-22-14(4)18(21)20-17-12(2)8-6-9-13(17)3/h6,8-9,11,14H,5,7,10H2,1-4H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide?
N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide has a molecular weight of 348.54 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2-propyl-1,3-thiazol-4-yl)methylsulfanyl]propanamide is sourced from PubChem (CID 87033751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).