10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide

C15H22F2N2OS — CID 11515204

IUPAC10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide
SMILESCc1csc(N(C)C(=O)CCCCCCCC=C(F)F)n1
InChIInChI=1S/C15H22F2N2OS/c1-12-11-21-15(18-12)19(2)14(20)10-8-6-4-3-5-7-9-13(16)17/h9,11H,3-8,10H2,1-2H3
InChIKeyRFCOZTWPKMHASW-UHFFFAOYSA-N
MW316.42 g/mol
LogP4.93
Rot. Bonds9

About 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide

10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide (PubChem CID 11515204) has the molecular formula C15H22F2N2OS and a molecular weight of 316.42 g/mol. Its IUPAC name is 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide.

Molecular Properties

Compound Name10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide
PubChem CID11515204
Molecular FormulaC15H22F2N2OS
Molecular Weight316.42 g/mol
Exact Mass316.14
IUPAC Name10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide
SMILESCc1csc(N(C)C(=O)CCCCCCCC=C(F)F)n1
InChIInChI=1S/C15H22F2N2OS/c1-12-11-21-15(18-12)19(2)14(20)10-8-6-4-3-5-7-9-13(16)17/h9,11H,3-8,10H2,1-2H3
InChIKeyRFCOZTWPKMHASW-UHFFFAOYSA-N
XLogP4.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide?
The IUPAC name of 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide (CID 11515204) is 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide.
What is the SMILES notation for 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide?
The canonical SMILES for 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide is Cc1csc(N(C)C(=O)CCCCCCCC=C(F)F)n1.
What is the InChIKey of 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide?
The InChIKey is RFCOZTWPKMHASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2OS/c1-12-11-21-15(18-12)19(2)14(20)10-8-6-4-3-5-7-9-13(16)17/h9,11H,3-8,10H2,1-2H3.
What are the key properties of 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide?
10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide has a molecular weight of 316.42 g/mol, XLogP of 4.93, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,10-difluoro-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)dec-9-enamide is sourced from PubChem (CID 11515204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).