2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide

C8H11ClN2OS — CID 3164323

IUPAC2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CCl)sc1C
InChIInChI=1S/C8H11ClN2OS/c1-3-6-5(2)13-8(10-6)11-7(12)4-9/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyMSHQDDQHSXQNNX-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.19
Rot. Bonds3

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

2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 3164323) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID3164323
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCc1nc(NC(=O)CCl)sc1C
InChIInChI=1S/C8H11ClN2OS/c1-3-6-5(2)13-8(10-6)11-7(12)4-9/h3-4H2,1-2H3,(H,10,11,12)
InChIKeyMSHQDDQHSXQNNX-UHFFFAOYSA-N
XLogP2.19
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide (CID 3164323) is 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is CCc1nc(NC(=O)CCl)sc1C.
What is the InChIKey of 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is MSHQDDQHSXQNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-3-6-5(2)13-8(10-6)11-7(12)4-9/h3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide?
2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 218.71 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3164323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).