4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine

C10H17ClN2S — CID 23131109

IUPAC4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine
SMILESCCC/N=c1\scc(CCl)n1CCC
InChIInChI=1S/C10H17ClN2S/c1-3-5-12-10-13(6-4-2)9(7-11)8-14-10/h8H,3-7H2,1-2H3/b12-10-
InChIKeyNEYLNTBAWGKMLC-BENRWUELSA-N
MW232.78 g/mol
LogP3.01
Rot. Bonds5

About 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine

4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine (PubChem CID 23131109) has the molecular formula C10H17ClN2S and a molecular weight of 232.78 g/mol. Its IUPAC name is 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine
PubChem CID23131109
Molecular FormulaC10H17ClN2S
Molecular Weight232.78 g/mol
Exact Mass232.08
IUPAC Name4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine
SMILESCCC/N=c1\scc(CCl)n1CCC
InChIInChI=1S/C10H17ClN2S/c1-3-5-12-10-13(6-4-2)9(7-11)8-14-10/h8H,3-7H2,1-2H3/b12-10-
InChIKeyNEYLNTBAWGKMLC-BENRWUELSA-N
XLogP3.01
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.78
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine?
The IUPAC name of 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine (CID 23131109) is 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine.
What is the SMILES notation for 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine?
The canonical SMILES for 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine is CCC/N=c1\scc(CCl)n1CCC.
What is the InChIKey of 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine?
The InChIKey is NEYLNTBAWGKMLC-BENRWUELSA-N. The full InChI is InChI=1S/C10H17ClN2S/c1-3-5-12-10-13(6-4-2)9(7-11)8-14-10/h8H,3-7H2,1-2H3/b12-10-.
What are the key properties of 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine?
4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine has a molecular weight of 232.78 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N,3-dipropyl-1,3-thiazol-2-imine is sourced from PubChem (CID 23131109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).