2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

C9H14N2OS — CID 61225145

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyQZZOSSPGWXOGML-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.72
Rot. Bonds3

About 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide

2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 61225145) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID61225145
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCc1ncc(CNC(=O)C(C)C)s1
InChIInChI=1S/C9H14N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h4,6H,5H2,1-3H3,(H,11,12)
InChIKeyQZZOSSPGWXOGML-UHFFFAOYSA-N
XLogP1.72
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 61225145) is 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is Cc1ncc(CNC(=O)C(C)C)s1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is QZZOSSPGWXOGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)9(12)11-5-8-4-10-7(3)13-8/h4,6H,5H2,1-3H3,(H,11,12).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 198.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 61225145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).