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

C8H11ClN4S — CID 135839691

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine
SMILESC/N=C1\NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H11ClN4S/c1-10-8-11-2-3-13(8)5-6-4-12-7(9)14-6/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyFMKFJTKQGXSHRO-UHFFFAOYSA-N
MW230.72 g/mol
LogP1.19
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine (PubChem CID 135839691) has the molecular formula C8H11ClN4S and a molecular weight of 230.72 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine
PubChem CID135839691
Molecular FormulaC8H11ClN4S
Molecular Weight230.72 g/mol
Exact Mass230.04
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine
SMILESC/N=C1\NCCN1Cc1cnc(Cl)s1
InChIInChI=1S/C8H11ClN4S/c1-10-8-11-2-3-13(8)5-6-4-12-7(9)14-6/h4H,2-3,5H2,1H3,(H,10,11)
InChIKeyFMKFJTKQGXSHRO-UHFFFAOYSA-N
XLogP1.19
TPSA40.52 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.72
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine (CID 135839691) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine is C/N=C1\NCCN1Cc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine?
The InChIKey is FMKFJTKQGXSHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4S/c1-10-8-11-2-3-13(8)5-6-4-12-7(9)14-6/h4H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine has a molecular weight of 230.72 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-methylimidazolidin-2-imine is sourced from PubChem (CID 135839691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).