N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide

C9H12F2N2OS — CID 103515583

IUPACN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide
SMILESCc1nc(C)c(C(C)NC(=O)C(F)F)s1
InChIInChI=1S/C9H12F2N2OS/c1-4-7(15-6(3)12-4)5(2)13-9(14)8(10)11/h5,8H,1-3H3,(H,13,14)
InChIKeyMJDYJMASTJMTME-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.20
Rot. Bonds3

About N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide (PubChem CID 103515583) has the molecular formula C9H12F2N2OS and a molecular weight of 234.27 g/mol. Its IUPAC name is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide
PubChem CID103515583
Molecular FormulaC9H12F2N2OS
Molecular Weight234.27 g/mol
Exact Mass234.06
IUPAC NameN-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide
SMILESCc1nc(C)c(C(C)NC(=O)C(F)F)s1
InChIInChI=1S/C9H12F2N2OS/c1-4-7(15-6(3)12-4)5(2)13-9(14)8(10)11/h5,8H,1-3H3,(H,13,14)
InChIKeyMJDYJMASTJMTME-UHFFFAOYSA-N
XLogP2.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide?
The IUPAC name of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide (CID 103515583) is N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide?
The canonical SMILES for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide is Cc1nc(C)c(C(C)NC(=O)C(F)F)s1.
What is the InChIKey of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide?
The InChIKey is MJDYJMASTJMTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2OS/c1-4-7(15-6(3)12-4)5(2)13-9(14)8(10)11/h5,8H,1-3H3,(H,13,14).
What are the key properties of N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide?
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide has a molecular weight of 234.27 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2,2-difluoroacetamide is sourced from PubChem (CID 103515583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).