2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

C15H11N5S2 — CID 10471568

IUPAC2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCn1cnc(-c2ccccc2)c1-c1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C15H11N5S2/c1-20-8-18-10(9-5-3-2-4-6-9)12(20)15-19-11-13(21)16-7-17-14(11)22-15/h2-8H,1H3,(H,16,17,21)
InChIKeyMTFWNXHVJMGEFT-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.82
Rot. Bonds2

About 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione

2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (PubChem CID 10471568) has the molecular formula C15H11N5S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.

Molecular Properties

Compound Name2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
PubChem CID10471568
Molecular FormulaC15H11N5S2
Molecular Weight325.42 g/mol
Exact Mass325.05
IUPAC Name2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione
SMILESCn1cnc(-c2ccccc2)c1-c1nc2c(=S)[nH]cnc2s1
InChIInChI=1S/C15H11N5S2/c1-20-8-18-10(9-5-3-2-4-6-9)12(20)15-19-11-13(21)16-7-17-14(11)22-15/h2-8H,1H3,(H,16,17,21)
InChIKeyMTFWNXHVJMGEFT-UHFFFAOYSA-N
XLogP3.82
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The IUPAC name of 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione (CID 10471568) is 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione.
What is the SMILES notation for 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The canonical SMILES for 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is Cn1cnc(-c2ccccc2)c1-c1nc2c(=S)[nH]cnc2s1.
What is the InChIKey of 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
The InChIKey is MTFWNXHVJMGEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5S2/c1-20-8-18-10(9-5-3-2-4-6-9)12(20)15-19-11-13(21)16-7-17-14(11)22-15/h2-8H,1H3,(H,16,17,21).
What are the key properties of 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione?
2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione has a molecular weight of 325.42 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-5-phenylimidazol-4-yl)-6H-[1,3]thiazolo[5,4-d]pyrimidine-7-thione is sourced from PubChem (CID 10471568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).