N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

C13H17N3OS — CID 29127775

IUPACN-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)CNC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C13H17N3OS/c1-10(2)8-14-12(17)7-11-9-15-13(18-11)16-5-3-4-6-16/h3-6,9-10H,7-8H2,1-2H3,(H,14,17)
InChIKeyQPKLJDKXOKZHRJ-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.25
Rot. Bonds5

About N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide

N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (PubChem CID 29127775) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
PubChem CID29127775
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC NameN-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide
SMILESCC(C)CNC(=O)Cc1cnc(-n2cccc2)s1
InChIInChI=1S/C13H17N3OS/c1-10(2)8-14-12(17)7-11-9-15-13(18-11)16-5-3-4-6-16/h3-6,9-10H,7-8H2,1-2H3,(H,14,17)
InChIKeyQPKLJDKXOKZHRJ-UHFFFAOYSA-N
XLogP2.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide 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-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide (CID 29127775) is N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is CC(C)CNC(=O)Cc1cnc(-n2cccc2)s1.
What is the InChIKey of N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
The InChIKey is QPKLJDKXOKZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-10(2)8-14-12(17)7-11-9-15-13(18-11)16-5-3-4-6-16/h3-6,9-10H,7-8H2,1-2H3,(H,14,17).
What are the key properties of N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide?
N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide has a molecular weight of 263.37 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(2-pyrrol-1-yl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 29127775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).