N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide

C12H13F3N4O2S — CID 139660248

IUPACN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide
SMILESCCC(=O)N(C(=O)CC)N(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C12H13F3N4O2S/c1-4-8(20)19(9(21)5-2)18(3)11-17-10(12(13,14)15)7(6-16)22-11/h4-5H2,1-3H3
InChIKeyMJSGOWCGOHVNJX-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.56
Rot. Bonds4

About N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide

N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide (PubChem CID 139660248) has the molecular formula C12H13F3N4O2S and a molecular weight of 334.32 g/mol. Its IUPAC name is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide.

Molecular Properties

Compound NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide
PubChem CID139660248
Molecular FormulaC12H13F3N4O2S
Molecular Weight334.32 g/mol
Exact Mass334.07
IUPAC NameN'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide
SMILESCCC(=O)N(C(=O)CC)N(C)c1nc(C(F)(F)F)c(C#N)s1
InChIInChI=1S/C12H13F3N4O2S/c1-4-8(20)19(9(21)5-2)18(3)11-17-10(12(13,14)15)7(6-16)22-11/h4-5H2,1-3H3
InChIKeyMJSGOWCGOHVNJX-UHFFFAOYSA-N
XLogP2.56
TPSA77.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide?
The IUPAC name of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide (CID 139660248) is N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide.
What is the SMILES notation for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide?
The canonical SMILES for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide is CCC(=O)N(C(=O)CC)N(C)c1nc(C(F)(F)F)c(C#N)s1.
What is the InChIKey of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide?
The InChIKey is MJSGOWCGOHVNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2S/c1-4-8(20)19(9(21)5-2)18(3)11-17-10(12(13,14)15)7(6-16)22-11/h4-5H2,1-3H3.
What are the key properties of N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide?
N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide has a molecular weight of 334.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyano-4-(trifluoromethyl)-1,3-thiazol-2-yl]-N'-methyl-N-propanoylpropanehydrazide is sourced from PubChem (CID 139660248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).