3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride

C7H10Cl2N2S — CID 53444474

IUPAC3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride
SMILESCl.ClCC1=CSC2=NCCCN12
InChIInChI=1S/C7H9ClN2S.ClH/c8-4-6-5-11-7-9-2-1-3-10(6)7;/h5H,1-4H2;1H
InChIKeyVOIJSEZFNHBAQR-UHFFFAOYSA-N
MW225.14 g/mol
LogP2.30
Rot. Bonds1

About 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride

3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride (PubChem CID 53444474) has the molecular formula C7H10Cl2N2S and a molecular weight of 225.14 g/mol. Its IUPAC name is 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride
PubChem CID53444474
Molecular FormulaC7H10Cl2N2S
Molecular Weight225.14 g/mol
Exact Mass223.99
IUPAC Name3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride
SMILESCl.ClCC1=CSC2=NCCCN12
InChIInChI=1S/C7H9ClN2S.ClH/c8-4-6-5-11-7-9-2-1-3-10(6)7;/h5H,1-4H2;1H
InChIKeyVOIJSEZFNHBAQR-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride?
The IUPAC name of 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride (CID 53444474) is 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride is Cl.ClCC1=CSC2=NCCCN12.
What is the InChIKey of 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride?
The InChIKey is VOIJSEZFNHBAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S.ClH/c8-4-6-5-11-7-9-2-1-3-10(6)7;/h5H,1-4H2;1H.
What are the key properties of 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride?
3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride has a molecular weight of 225.14 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine;hydrochloride is sourced from PubChem (CID 53444474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).