[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate

C9H10F2N2O3S — CID 53492853

IUPAC[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate
SMILESCCC(=O)OC(F)(F)c1cnc(NC(C)=O)s1
InChIInChI=1S/C9H10F2N2O3S/c1-3-7(15)16-9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyGGDPDHFNIKNTJR-UHFFFAOYSA-N
MW264.25 g/mol
LogP2.10
Rot. Bonds4

About [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate

[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate (PubChem CID 53492853) has the molecular formula C9H10F2N2O3S and a molecular weight of 264.25 g/mol. Its IUPAC name is [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate.

Molecular Properties

Compound Name[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate
PubChem CID53492853
Molecular FormulaC9H10F2N2O3S
Molecular Weight264.25 g/mol
Exact Mass264.04
IUPAC Name[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate
SMILESCCC(=O)OC(F)(F)c1cnc(NC(C)=O)s1
InChIInChI=1S/C9H10F2N2O3S/c1-3-7(15)16-9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14)
InChIKeyGGDPDHFNIKNTJR-UHFFFAOYSA-N
XLogP2.10
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-(propionylamino)propanoate
CID 5103390
Methyl 2-[(trifluoroacetyl)amino]-1,3-thiazole-5-carboxylate
CID 156025295
N-[2,2,2-trifluoro-1-[(5-methyl-1,3-thiazol-2-yl)amino]-1-(trifluoromethyl)ethyl]propanamide
CID 1208101
2,2,3,3,3-pentafluoro-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17386520
Methyl 2-(acetylamino)-3,3,3-trifluoro-2-[(5-methyl-1,3-thiazol-2-yl)amino]propanoate
CID 24776168
N-ethyl-5-methyl-1,3-thiazol-2-amine;2,2,2-trifluoroacetic acid
CID 87961106
Methyl 2-(2,2-difluoroethylamino)-1,3-thiazole-5-carboxylate
CID 115409396
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 130015249
[(5-Methyl-1,3-thiazol-2-yl)carbamoylamino] 2,2,2-trifluoroacetate
CID 140200212
Methyl 4-oxo-4-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]butanoate
CID 141716072
N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]butanamide
CID 151164719
N-[5-(difluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 178790728

Frequently Asked Questions

What is the IUPAC name of [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate?
The IUPAC name of [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate (CID 53492853) is [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate.
What is the SMILES notation for [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate?
The canonical SMILES for [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate is CCC(=O)OC(F)(F)c1cnc(NC(C)=O)s1.
What is the InChIKey of [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate?
The InChIKey is GGDPDHFNIKNTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3S/c1-3-7(15)16-9(10,11)6-4-12-8(17-6)13-5(2)14/h4H,3H2,1-2H3,(H,12,13,14).
What are the key properties of [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate?
[(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate has a molecular weight of 264.25 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-acetamido-1,3-thiazol-5-yl)-difluoromethyl] propanoate is sourced from PubChem (CID 53492853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).