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

C14H14F2N2O2S — CID 155547004

IUPAC4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(F)cc(F)c2)s1
InChIInChI=1S/C14H14F2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-4-20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H,17,18,19)
InChIKeyMMDXTRQACINXKM-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.53
Rot. Bonds6

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

4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (PubChem CID 155547004) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
PubChem CID155547004
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC Name4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
SMILESCc1cnc(NC(=O)CCCOc2cc(F)cc(F)c2)s1
InChIInChI=1S/C14H14F2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-4-20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H,17,18,19)
InChIKeyMMDXTRQACINXKM-UHFFFAOYSA-N
XLogP3.53
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.53
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-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The IUPAC name of 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide (CID 155547004) is 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide.
What is the SMILES notation for 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The canonical SMILES for 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is Cc1cnc(NC(=O)CCCOc2cc(F)cc(F)c2)s1.
What is the InChIKey of 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
The InChIKey is MMDXTRQACINXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-9-8-17-14(21-9)18-13(19)3-2-4-20-12-6-10(15)5-11(16)7-12/h5-8H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide?
4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide has a molecular weight of 312.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)butanamide is sourced from PubChem (CID 155547004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).