N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide

C16H20N2OS2 — CID 11427204

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
InChIKeyLUXAHBUKMVESIS-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.63
Rot. Bonds8

About N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide

N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide (PubChem CID 11427204) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide
PubChem CID11427204
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide
SMILESO=C(CCCCCCS)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19)
InChIKeyLUXAHBUKMVESIS-UHFFFAOYSA-N
XLogP4.63
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide 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-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide (CID 11427204) is N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide is O=C(CCCCCCS)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide?
The InChIKey is LUXAHBUKMVESIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c19-15(10-6-1-2-7-11-20)18-16-17-14(12-21-16)13-8-4-3-5-9-13/h3-5,8-9,12,20H,1-2,6-7,10-11H2,(H,17,18,19).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide?
N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide has a molecular weight of 320.48 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-7-sulfanylheptanamide is sourced from PubChem (CID 11427204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).