3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine

C7H8ClN3S2 — CID 10198562

IUPAC3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN3S2/c8-6-10-3-5(13-6)4-11-1-2-12-7(11)9/h3,9H,1-2,4H2/b9-7-
InChIKeyWFGLBBZHLLVCNI-CLFYSBASSA-N
MW233.75 g/mol
LogP2.28
Rot. Bonds2

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

3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine (PubChem CID 10198562) has the molecular formula C7H8ClN3S2 and a molecular weight of 233.75 g/mol. Its IUPAC name is 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine.

Molecular Properties

Compound Name3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine
PubChem CID10198562
Molecular FormulaC7H8ClN3S2
Molecular Weight233.75 g/mol
Exact Mass232.98
IUPAC Name3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine
SMILES[H]/N=C1\SCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C7H8ClN3S2/c8-6-10-3-5(13-6)4-11-1-2-12-7(11)9/h3,9H,1-2,4H2/b9-7-
InChIKeyWFGLBBZHLLVCNI-CLFYSBASSA-N
XLogP2.28
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.75
LogP ≤ 52.28
H-Bond Donors ≤ 51
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 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine?
The IUPAC name of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine (CID 10198562) is 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine.
What is the SMILES notation for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine?
The canonical SMILES for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine is [H]/N=C1\SCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine?
The InChIKey is WFGLBBZHLLVCNI-CLFYSBASSA-N. The full InChI is InChI=1S/C7H8ClN3S2/c8-6-10-3-5(13-6)4-11-1-2-12-7(11)9/h3,9H,1-2,4H2/b9-7-.
What are the key properties of 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine?
3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine has a molecular weight of 233.75 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1,3-thiazol-5-yl)methyl]-1,3-thiazolidin-2-imine is sourced from PubChem (CID 10198562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).