N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide

C8H11FN2OS — CID 24832250

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
SMILESCc1nc(N(C)C(=O)CF)sc1C
InChIInChI=1S/C8H11FN2OS/c1-5-6(2)13-8(10-5)11(3)7(12)4-9/h4H2,1-3H3
InChIKeyAMCULKRSCGCHDO-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.69
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide (PubChem CID 24832250) has the molecular formula C8H11FN2OS and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
PubChem CID24832250
Molecular FormulaC8H11FN2OS
Molecular Weight202.25 g/mol
Exact Mass202.06
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide
SMILESCc1nc(N(C)C(=O)CF)sc1C
InChIInChI=1S/C8H11FN2OS/c1-5-6(2)13-8(10-5)11(3)7(12)4-9/h4H2,1-3H3
InChIKeyAMCULKRSCGCHDO-UHFFFAOYSA-N
XLogP1.69
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide (CID 24832250) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide is Cc1nc(N(C)C(=O)CF)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide?
The InChIKey is AMCULKRSCGCHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2OS/c1-5-6(2)13-8(10-5)11(3)7(12)4-9/h4H2,1-3H3.
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide has a molecular weight of 202.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-N-methylacetamide is sourced from PubChem (CID 24832250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).