2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide

C9H13ClN2OS — CID 146085866

IUPAC2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
SMILESCCC(C)(NC(=O)CCl)c1nccs1
InChIInChI=1S/C9H13ClN2OS/c1-3-9(2,12-7(13)6-10)8-11-4-5-14-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyKLJGLMOKGUURJK-UHFFFAOYSA-N
MW232.74 g/mol
LogP2.12
Rot. Bonds4

About 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide

2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide (PubChem CID 146085866) has the molecular formula C9H13ClN2OS and a molecular weight of 232.74 g/mol. Its IUPAC name is 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
PubChem CID146085866
Molecular FormulaC9H13ClN2OS
Molecular Weight232.74 g/mol
Exact Mass232.04
IUPAC Name2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
SMILESCCC(C)(NC(=O)CCl)c1nccs1
InChIInChI=1S/C9H13ClN2OS/c1-3-9(2,12-7(13)6-10)8-11-4-5-14-8/h4-5H,3,6H2,1-2H3,(H,12,13)
InChIKeyKLJGLMOKGUURJK-UHFFFAOYSA-N
XLogP2.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892442
5-[2-(1,3-thiazol-2-yl)butan-2-ylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685730
N-propan-2-yl-2-[[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]amino]acetamide
CID 96519869
2-pyrrolidin-2-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide;dihydrochloride
CID 119892436
2-hydroxy-2-phenyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide
CID 111539967
3-chloro-2-methyl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]benzamide
CID 166224655
1-(pyridin-4-ylmethyl)-3-[(2S)-2-(1,3-thiazol-2-yl)butan-2-yl]urea
CID 97095551
N-[2-(1,3-thiazol-2-yl)butan-2-yl]pyrrolidine-3-carboxamide
CID 119892445
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
3-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)butan-2-yl]butanamide;dihydrochloride
CID 119892416
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435
N-[(3-methylthiophen-2-yl)methyl]-2-[2-(1,3-thiazol-2-yl)butan-2-ylamino]acetamide
CID 71868953

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide (CID 146085866) is 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide is CCC(C)(NC(=O)CCl)c1nccs1.
What is the InChIKey of 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide?
The InChIKey is KLJGLMOKGUURJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2OS/c1-3-9(2,12-7(13)6-10)8-11-4-5-14-8/h4-5H,3,6H2,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide?
2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide has a molecular weight of 232.74 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1,3-thiazol-2-yl)butan-2-yl]acetamide is sourced from PubChem (CID 146085866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).