3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

C12H20Cl2N2S — CID 155166937

IUPAC3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCC(C)C1N=C2SC=C(CCl)N2C1C(C)C.Cl
InChIInChI=1S/C12H19ClN2S.ClH/c1-7(2)10-11(8(3)4)15-9(5-13)6-16-12(15)14-10;/h6-8,10-11H,5H2,1-4H3;1H
InChIKeyVJEUNXSAHFJCBA-UHFFFAOYSA-N
MW295.28 g/mol
LogP3.96
Rot. Bonds3

About 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride

3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 155166937) has the molecular formula C12H20Cl2N2S and a molecular weight of 295.28 g/mol. Its IUPAC name is 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID155166937
Molecular FormulaC12H20Cl2N2S
Molecular Weight295.28 g/mol
Exact Mass294.07
IUPAC Name3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCC(C)C1N=C2SC=C(CCl)N2C1C(C)C.Cl
InChIInChI=1S/C12H19ClN2S.ClH/c1-7(2)10-11(8(3)4)15-9(5-13)6-16-12(15)14-10;/h6-8,10-11H,5H2,1-4H3;1H
InChIKeyVJEUNXSAHFJCBA-UHFFFAOYSA-N
XLogP3.96
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,8R)-3-(chloromethyl)-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene
CID 162532392
(6S)-11-(chloromethyl)-4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-7,10-diene
CID 155177075
3-(chloromethyl)-6-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride
CID 169004875
3-(chloromethyl)-6,6-dimethyl-5H-imidazo[2,1-b][1,3]thiazole
CID 25178355
3-(chloromethyl)-6,6-dimethyl-5,7-dihydro-[1,3]thiazolo[3,2-a]pyrimidine
CID 155166861
3-(chloromethyl)-6-[(3-methylphenyl)methyl]-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 169005355
(1S,8R)-3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-5-thia-2,7-diazatricyclo[6.3.1.02,6]dodeca-3,6-diene;dihydrochloride
CID 162532384
(2S,6R)-11-[[(3aS,6aR)-3a,4,6,6a-tetrahydro-1H-furo[3,4-d]imidazol-2-yl]sulfanylmethyl]-4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-7,10-diene;dihydrochloride
CID 162532352
5-(chloromethyl)-3-iodo-1-(2-methylpropyl)pyrazole
CID 154881842
1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole
CID 140638391
(4aS,8aR)-1-[[(3aR,7aS)-3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-yl]sulfanylmethyl]-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 162532337
1-(4,5-dihydro-1H-imidazol-2-ylsulfanylmethyl)-4a,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]benzimidazole
CID 155166533

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 155166937) is 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is CC(C)C1N=C2SC=C(CCl)N2C1C(C)C.Cl.
What is the InChIKey of 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is VJEUNXSAHFJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2S.ClH/c1-7(2)10-11(8(3)4)15-9(5-13)6-16-12(15)14-10;/h6-8,10-11H,5H2,1-4H3;1H.
What are the key properties of 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 295.28 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5,6-di(propan-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 155166937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).