6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one

C18H11N5OS2 — CID 90390876

IUPAC6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(Nc3ncnc4sc(-c5ccccc5)nc34)cc2s1
InChIInChI=1S/C18H11N5OS2/c24-18-22-12-7-6-11(8-13(12)25-18)21-15-14-17(20-9-19-15)26-16(23-14)10-4-2-1-3-5-10/h1-9H,(H,22,24)(H,19,20,21)
InChIKeyJALAOLDYKMYLHS-UHFFFAOYSA-N
MW377.45 g/mol
LogP4.40
Rot. Bonds3

About 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one

6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one (PubChem CID 90390876) has the molecular formula C18H11N5OS2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one.

Molecular Properties

Compound Name6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one
PubChem CID90390876
Molecular FormulaC18H11N5OS2
Molecular Weight377.45 g/mol
Exact Mass377.04
IUPAC Name6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one
SMILESO=c1[nH]c2ccc(Nc3ncnc4sc(-c5ccccc5)nc34)cc2s1
InChIInChI=1S/C18H11N5OS2/c24-18-22-12-7-6-11(8-13(12)25-18)21-15-14-17(20-9-19-15)26-16(23-14)10-4-2-1-3-5-10/h1-9H,(H,22,24)(H,19,20,21)
InChIKeyJALAOLDYKMYLHS-UHFFFAOYSA-N
XLogP4.40
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one?
The IUPAC name of 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one (CID 90390876) is 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one.
What is the SMILES notation for 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one?
The canonical SMILES for 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one is O=c1[nH]c2ccc(Nc3ncnc4sc(-c5ccccc5)nc34)cc2s1.
What is the InChIKey of 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one?
The InChIKey is JALAOLDYKMYLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N5OS2/c24-18-22-12-7-6-11(8-13(12)25-18)21-15-14-17(20-9-19-15)26-16(23-14)10-4-2-1-3-5-10/h1-9H,(H,22,24)(H,19,20,21).
What are the key properties of 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one?
6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one has a molecular weight of 377.45 g/mol, XLogP of 4.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-phenyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)amino]-3H-1,3-benzothiazol-2-one is sourced from PubChem (CID 90390876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).