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

C11H11ClN2OS2 — CID 2314012

IUPAC4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H11ClN2OS2/c12-5-1-4-10(15)14-11-13-8(7-17-11)9-3-2-6-16-9/h2-3,6-7H,1,4-5H2,(H,13,14,15)
InChIKeyFFVPOZIVPDLWFK-UHFFFAOYSA-N
MW286.81 g/mol
LogP3.83
Rot. Bonds5

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

4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide (PubChem CID 2314012) has the molecular formula C11H11ClN2OS2 and a molecular weight of 286.81 g/mol. Its IUPAC name is 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
PubChem CID2314012
Molecular FormulaC11H11ClN2OS2
Molecular Weight286.81 g/mol
Exact Mass286.00
IUPAC Name4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide
SMILESO=C(CCCCl)Nc1nc(-c2cccs2)cs1
InChIInChI=1S/C11H11ClN2OS2/c12-5-1-4-10(15)14-11-13-8(7-17-11)9-3-2-6-16-9/h2-3,6-7H,1,4-5H2,(H,13,14,15)
InChIKeyFFVPOZIVPDLWFK-UHFFFAOYSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.81
LogP ≤ 53.83
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 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide (CID 2314012) is 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide is O=C(CCCCl)Nc1nc(-c2cccs2)cs1.
What is the InChIKey of 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
The InChIKey is FFVPOZIVPDLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2OS2/c12-5-1-4-10(15)14-11-13-8(7-17-11)9-3-2-6-16-9/h2-3,6-7H,1,4-5H2,(H,13,14,15).
What are the key properties of 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide?
4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide has a molecular weight of 286.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 2314012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).