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

C14H15ClN2O2S — CID 49317486

IUPAC4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)7-4-8-19-12-6-3-2-5-11(12)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17,18)
InChIKeyKLRCXAOLKULKGU-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.90
Rot. Bonds6

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

4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 49317486) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID49317486
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2ccccc2Cl)s1
InChIInChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)7-4-8-19-12-6-3-2-5-11(12)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17,18)
InChIKeyKLRCXAOLKULKGU-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-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 49317486) is 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2ccccc2Cl)s1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is KLRCXAOLKULKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-10-9-16-14(20-10)17-13(18)7-4-8-19-12-6-3-2-5-11(12)15/h2-3,5-6,9H,4,7-8H2,1H3,(H,16,17,18).
What are the key properties of 4-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(2-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-(2-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 49317486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).