4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

C14H15ClN2O2S — CID 145420134

IUPAC4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyCKAGJBFFDLGXAM-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.90
Rot. Bonds6

About 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide

4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 145420134) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID145420134
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18)
InChIKeyCKAGJBFFDLGXAM-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 145420134) is 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cccc(Cl)c2)s1.
What is the InChIKey of 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is CKAGJBFFDLGXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)6-3-7-19-12-5-2-4-11(15)8-12/h2,4-5,8-9H,3,6-7H2,1H3,(H,16,17,18).
What are the key properties of 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 310.81 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 145420134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).