4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide

C8H11ClN2OS — CID 4131993

IUPAC4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCCl)n1
InChIInChI=1S/C8H11ClN2OS/c1-6-5-13-8(10-6)11-7(12)3-2-4-9/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyIOTKQLIYSKZWFN-UHFFFAOYSA-N
MW218.71 g/mol
LogP2.41
Rot. Bonds4

About 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 4131993) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID4131993
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1csc(NC(=O)CCCCl)n1
InChIInChI=1S/C8H11ClN2OS/c1-6-5-13-8(10-6)11-7(12)3-2-4-9/h5H,2-4H2,1H3,(H,10,11,12)
InChIKeyIOTKQLIYSKZWFN-UHFFFAOYSA-N
XLogP2.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 52.41
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

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CID 280907
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N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]propanamide
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N-(4-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 2421541
N-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanamide
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3,3-dimethyl-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 3902865
2-chloro-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 1133016
2-Acetamido-4-methylthiomethylthiazole
CID 47263059
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-methyl-1,3-thiazol-2-yl)hexanamide
CID 4990531
4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pentanamide
CID 40218433
3-methyl-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 45884392

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide (CID 4131993) is 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide is Cc1csc(NC(=O)CCCCl)n1.
What is the InChIKey of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is IOTKQLIYSKZWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c1-6-5-13-8(10-6)11-7(12)3-2-4-9/h5H,2-4H2,1H3,(H,10,11,12).
What are the key properties of 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide?
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 218.71 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 4131993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).