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

C9H14N2OS — CID 23613013

IUPAC2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)C)cs1
InChIInChI=1S/C9H14N2OS/c1-6(2)9(12)10-4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyQMLXSLDKEYTZFT-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.72
Rot. Bonds3

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

2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 23613013) 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-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID23613013
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCc1nc(CNC(=O)C(C)C)cs1
InChIInChI=1S/C9H14N2OS/c1-6(2)9(12)10-4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12)
InChIKeyQMLXSLDKEYTZFT-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-4-yl)methyl]propanamide?
The IUPAC name of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide (CID 23613013) is 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide is Cc1nc(CNC(=O)C(C)C)cs1.
What is the InChIKey of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is QMLXSLDKEYTZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)9(12)10-4-8-5-13-7(3)11-8/h5-6H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide?
2-methyl-N-[(2-methyl-1,3-thiazol-4-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-4-yl)methyl]propanamide is sourced from PubChem (CID 23613013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).