N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

C11H18N2OS — CID 52774246

IUPACN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)C(C)(C)C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-12-9(7-15-8)6-13(5)10(14)11(2,3)4/h7H,6H2,1-5H3
InChIKeyCCOPEXWNURJFRS-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.46
Rot. Bonds2

About N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide

N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 52774246) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID52774246
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)C(C)(C)C)cs1
InChIInChI=1S/C11H18N2OS/c1-8-12-9(7-15-8)6-13(5)10(14)11(2,3)4/h7H,6H2,1-5H3
InChIKeyCCOPEXWNURJFRS-UHFFFAOYSA-N
XLogP2.46
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]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,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 52774246) is N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)C(C)(C)C)cs1.
What is the InChIKey of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is CCOPEXWNURJFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-12-9(7-15-8)6-13(5)10(14)11(2,3)4/h7H,6H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 226.34 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 52774246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).