2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide

C9H16N2OS — CID 130214752

IUPAC2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1=CSC(C)N1
InChIInChI=1S/C9H16N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-7,11H,4H2,1-3H3,(H,10,12)
InChIKeyPYFLRMODBBLBNT-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.42
Rot. Bonds3

About 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide

2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide (PubChem CID 130214752) has the molecular formula C9H16N2OS and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
PubChem CID130214752
Molecular FormulaC9H16N2OS
Molecular Weight200.31 g/mol
Exact Mass200.10
IUPAC Name2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CC1=CSC(C)N1
InChIInChI=1S/C9H16N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-7,11H,4H2,1-3H3,(H,10,12)
InChIKeyPYFLRMODBBLBNT-UHFFFAOYSA-N
XLogP1.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide (CID 130214752) is 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CC1=CSC(C)N1.
What is the InChIKey of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
The InChIKey is PYFLRMODBBLBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2OS/c1-6(2)10-9(12)4-8-5-13-7(3)11-8/h5-7,11H,4H2,1-3H3,(H,10,12).
What are the key properties of 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide?
2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide has a molecular weight of 200.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-2,3-dihydro-1,3-thiazol-4-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 130214752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).