N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide

C15H17N3O2S — CID 86817603

IUPACN-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide
SMILESCNC(=O)CCCC(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-16-12(19)8-5-9-13(20)18-14-10-17-15(21-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,18,20)
InChIKeyREEXPCSPDLMANV-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.66
Rot. Bonds6

About N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide

N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide (PubChem CID 86817603) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide.

Molecular Properties

Compound NameN-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide
PubChem CID86817603
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide
SMILESCNC(=O)CCCC(=O)Nc1cnc(-c2ccccc2)s1
InChIInChI=1S/C15H17N3O2S/c1-16-12(19)8-5-9-13(20)18-14-10-17-15(21-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,18,20)
InChIKeyREEXPCSPDLMANV-UHFFFAOYSA-N
XLogP2.66
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide 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-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide?
The IUPAC name of N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide (CID 86817603) is N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide.
What is the SMILES notation for N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide?
The canonical SMILES for N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide is CNC(=O)CCCC(=O)Nc1cnc(-c2ccccc2)s1.
What is the InChIKey of N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide?
The InChIKey is REEXPCSPDLMANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-16-12(19)8-5-9-13(20)18-14-10-17-15(21-14)11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,16,19)(H,18,20).
What are the key properties of N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide?
N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide has a molecular weight of 303.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2-phenyl-1,3-thiazol-5-yl)pentanediamide is sourced from PubChem (CID 86817603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).