N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide

C9H7ClF3N3OS2 — CID 46910526

IUPACN-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide
SMILESO=C(/N=C1\SCCN1Cc1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H7ClF3N3OS2/c10-7-14-3-5(19-7)4-16-1-2-18-8(16)15-6(17)9(11,12)13/h3H,1-2,4H2/b15-8-
InChIKeyHYUYJCMLPOKGTI-NVNXTCNLSA-N
MW329.76 g/mol
LogP2.79
Rot. Bonds2

About N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide

N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide (PubChem CID 46910526) has the molecular formula C9H7ClF3N3OS2 and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide
PubChem CID46910526
Molecular FormulaC9H7ClF3N3OS2
Molecular Weight329.76 g/mol
Exact Mass328.97
IUPAC NameN-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide
SMILESO=C(/N=C1\SCCN1Cc1cnc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H7ClF3N3OS2/c10-7-14-3-5(19-7)4-16-1-2-18-8(16)15-6(17)9(11,12)13/h3H,1-2,4H2/b15-8-
InChIKeyHYUYJCMLPOKGTI-NVNXTCNLSA-N
XLogP2.79
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide (CID 46910526) is N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide is O=C(/N=C1\SCCN1Cc1cnc(Cl)s1)C(F)(F)F.
What is the InChIKey of N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide?
The InChIKey is HYUYJCMLPOKGTI-NVNXTCNLSA-N. The full InChI is InChI=1S/C9H7ClF3N3OS2/c10-7-14-3-5(19-7)4-16-1-2-18-8(16)15-6(17)9(11,12)13/h3H,1-2,4H2/b15-8-.
What are the key properties of N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide?
N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide has a molecular weight of 329.76 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-ylidene]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 46910526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).