3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

C12H18N4S2 — CID 155166711

IUPAC3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1(C)CN=C(SCC2=CSC3=NCCCN23)N1
InChIInChI=1S/C12H18N4S2/c1-12(2)8-14-10(15-12)17-6-9-7-18-11-13-4-3-5-16(9)11/h7H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyINEGGHLUUVJGNT-UHFFFAOYSA-N
MW282.44 g/mol
LogP2.11
Rot. Bonds2

About 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine

3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (PubChem CID 155166711) has the molecular formula C12H18N4S2 and a molecular weight of 282.44 g/mol. Its IUPAC name is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.

Molecular Properties

Compound Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
PubChem CID155166711
Molecular FormulaC12H18N4S2
Molecular Weight282.44 g/mol
Exact Mass282.10
IUPAC Name3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine
SMILESCC1(C)CN=C(SCC2=CSC3=NCCCN23)N1
InChIInChI=1S/C12H18N4S2/c1-12(2)8-14-10(15-12)17-6-9-7-18-11-13-4-3-5-16(9)11/h7H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyINEGGHLUUVJGNT-UHFFFAOYSA-N
XLogP2.11
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The IUPAC name of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine (CID 155166711) is 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine.
What is the SMILES notation for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The canonical SMILES for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is CC1(C)CN=C(SCC2=CSC3=NCCCN23)N1.
What is the InChIKey of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
The InChIKey is INEGGHLUUVJGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4S2/c1-12(2)8-14-10(15-12)17-6-9-7-18-11-13-4-3-5-16(9)11/h7H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine?
3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine has a molecular weight of 282.44 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyl-1,4-dihydroimidazol-2-yl)sulfanylmethyl]-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine is sourced from PubChem (CID 155166711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).