4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide

C8H11ClN2OS — CID 63831533

IUPAC4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESO=C(CCCCl)NCc1cscn1
InChIInChI=1S/C8H11ClN2OS/c9-3-1-2-8(12)10-4-7-5-13-6-11-7/h5-6H,1-4H2,(H,10,12)
InChIKeyZSNXHQPOQQZWMJ-UHFFFAOYSA-N
MW218.71 g/mol
LogP1.78
Rot. Bonds5

About 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide

4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide (PubChem CID 63831533) has the molecular formula C8H11ClN2OS and a molecular weight of 218.71 g/mol. Its IUPAC name is 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
PubChem CID63831533
Molecular FormulaC8H11ClN2OS
Molecular Weight218.71 g/mol
Exact Mass218.03
IUPAC Name4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide
SMILESO=C(CCCCl)NCc1cscn1
InChIInChI=1S/C8H11ClN2OS/c9-3-1-2-8(12)10-4-7-5-13-6-11-7/h5-6H,1-4H2,(H,10,12)
InChIKeyZSNXHQPOQQZWMJ-UHFFFAOYSA-N
XLogP1.78
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.71
LogP ≤ 51.78
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

N-(1,3-thiazol-4-ylmethyl)prop-2-enamide
CID 63831538
2-[[3-(1,3-thiazol-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244829
1-methyl-3-(1,3-thiazol-4-ylmethyl)urea
CID 23548401
3-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346171
N-prop-2-enyl-3-(1,3-thiazol-4-yl)propanamide
CID 110679374
3-(3-fluorophenyl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 110717379
2-methyl-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 62185365
4-chloro-N-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]benzamide
CID 46388432
3-piperidin-4-yloxy-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 55251350
3-(ethylamino)-N-(1,3-thiazol-4-ylmethyl)butanamide
CID 63824458
3-(1H-indol-3-yl)-N-(1,3-thiazol-4-ylmethyl)propanamide
CID 49346210
N-[(2-methylphenyl)methyl]-3-(1,3-thiazol-4-yl)propanamide
CID 110679397

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide?
The IUPAC name of 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide (CID 63831533) is 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide.
What is the SMILES notation for 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide?
The canonical SMILES for 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide is O=C(CCCCl)NCc1cscn1.
What is the InChIKey of 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide?
The InChIKey is ZSNXHQPOQQZWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2OS/c9-3-1-2-8(12)10-4-7-5-13-6-11-7/h5-6H,1-4H2,(H,10,12).
What are the key properties of 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide?
4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide has a molecular weight of 218.71 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,3-thiazol-4-ylmethyl)butanamide is sourced from PubChem (CID 63831533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).