7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

C18H16N4S2 — CID 135953342

IUPAC7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESC/N=C1\NC(c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C18H16N4S2/c1-19-16-14-17(21-15(20-16)12-8-4-2-5-9-12)22(18(23)24-14)13-10-6-3-7-11-13/h2-11,15,21H,1H3,(H,19,20)
InChIKeyPTCLHIHBHOLTJU-UHFFFAOYSA-N
MW352.49 g/mol
LogP4.36
Rot. Bonds2

About 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione

7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (PubChem CID 135953342) has the molecular formula C18H16N4S2 and a molecular weight of 352.49 g/mol. Its IUPAC name is 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.

Molecular Properties

Compound Name7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
PubChem CID135953342
Molecular FormulaC18H16N4S2
Molecular Weight352.49 g/mol
Exact Mass352.08
IUPAC Name7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione
SMILESC/N=C1\NC(c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1
InChIInChI=1S/C18H16N4S2/c1-19-16-14-17(21-15(20-16)12-8-4-2-5-9-12)22(18(23)24-14)13-10-6-3-7-11-13/h2-11,15,21H,1H3,(H,19,20)
InChIKeyPTCLHIHBHOLTJU-UHFFFAOYSA-N
XLogP4.36
TPSA41.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.49
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The IUPAC name of 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione (CID 135953342) is 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione.
What is the SMILES notation for 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The canonical SMILES for 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is C/N=C1\NC(c2ccccc2)Nc2c1sc(=S)n2-c1ccccc1.
What is the InChIKey of 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
The InChIKey is PTCLHIHBHOLTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S2/c1-19-16-14-17(21-15(20-16)12-8-4-2-5-9-12)22(18(23)24-14)13-10-6-3-7-11-13/h2-11,15,21H,1H3,(H,19,20).
What are the key properties of 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione?
7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione has a molecular weight of 352.49 g/mol, XLogP of 4.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylimino-3,5-diphenyl-5,6-dihydro-4H-[1,3]thiazolo[4,5-d]pyrimidine-2-thione is sourced from PubChem (CID 135953342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).