2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide

C11H15ClN2O2S — CID 166431904

IUPAC2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CCl)nc1C1CCCOC1
InChIInChI=1S/C11H15ClN2O2S/c1-7-10(8-3-2-4-16-6-8)14-11(17-7)13-9(15)5-12/h8H,2-6H2,1H3,(H,13,14,15)
InChIKeySINFRQLZNRRFGX-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.52
Rot. Bonds3

About 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide

2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 166431904) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID166431904
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESCc1sc(NC(=O)CCl)nc1C1CCCOC1
InChIInChI=1S/C11H15ClN2O2S/c1-7-10(8-3-2-4-16-6-8)14-11(17-7)13-9(15)5-12/h8H,2-6H2,1H3,(H,13,14,15)
InChIKeySINFRQLZNRRFGX-UHFFFAOYSA-N
XLogP2.52
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide (CID 166431904) is 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide is Cc1sc(NC(=O)CCl)nc1C1CCCOC1.
What is the InChIKey of 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is SINFRQLZNRRFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-7-10(8-3-2-4-16-6-8)14-11(17-7)13-9(15)5-12/h8H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide?
2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 274.77 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-methyl-4-(oxan-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166431904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).