2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one

C15H13N5OS2 — CID 176891765

IUPAC2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCSc1nc2ncn(-c3ccc4c(c3)ncn4C)c(=O)c2s1
InChIInChI=1S/C15H13N5OS2/c1-3-22-15-18-13-12(23-15)14(21)20(8-17-13)9-4-5-11-10(6-9)16-7-19(11)2/h4-8H,3H2,1-2H3
InChIKeyVTZAVNIEIMUAAX-UHFFFAOYSA-N
MW343.44 g/mol
LogP2.84
Rot. Bonds3

About 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one

2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (PubChem CID 176891765) has the molecular formula C15H13N5OS2 and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
PubChem CID176891765
Molecular FormulaC15H13N5OS2
Molecular Weight343.44 g/mol
Exact Mass343.06
IUPAC Name2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one
SMILESCCSc1nc2ncn(-c3ccc4c(c3)ncn4C)c(=O)c2s1
InChIInChI=1S/C15H13N5OS2/c1-3-22-15-18-13-12(23-15)14(21)20(8-17-13)9-4-5-11-10(6-9)16-7-19(11)2/h4-8H,3H2,1-2H3
InChIKeyVTZAVNIEIMUAAX-UHFFFAOYSA-N
XLogP2.84
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one (CID 176891765) is 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is CCSc1nc2ncn(-c3ccc4c(c3)ncn4C)c(=O)c2s1.
What is the InChIKey of 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
The InChIKey is VTZAVNIEIMUAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS2/c1-3-22-15-18-13-12(23-15)14(21)20(8-17-13)9-4-5-11-10(6-9)16-7-19(11)2/h4-8H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one?
2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one has a molecular weight of 343.44 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-6-(1-methylbenzimidazol-5-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 176891765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).