methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate

C17H15N3O2S — CID 171784211

IUPACmethyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2CC2c2nc(C)nc3scnc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-9-19-14(15-16(20-9)23-8-18-15)13-7-12(13)10-3-5-11(6-4-10)17(21)22-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyKALNMTCTLSGLOB-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.45
Rot. Bonds3

About methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate

methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate (PubChem CID 171784211) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate
PubChem CID171784211
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Namemethyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate
SMILESCOC(=O)c1ccc(C2CC2c2nc(C)nc3scnc23)cc1
InChIInChI=1S/C17H15N3O2S/c1-9-19-14(15-16(20-9)23-8-18-15)13-7-12(13)10-3-5-11(6-4-10)17(21)22-2/h3-6,8,12-13H,7H2,1-2H3
InChIKeyKALNMTCTLSGLOB-UHFFFAOYSA-N
XLogP3.45
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate?
The IUPAC name of methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate (CID 171784211) is methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate.
What is the SMILES notation for methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate?
The canonical SMILES for methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate is COC(=O)c1ccc(C2CC2c2nc(C)nc3scnc23)cc1.
What is the InChIKey of methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate?
The InChIKey is KALNMTCTLSGLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c1-9-19-14(15-16(20-9)23-8-18-15)13-7-12(13)10-3-5-11(6-4-10)17(21)22-2/h3-6,8,12-13H,7H2,1-2H3.
What are the key properties of methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate?
methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate has a molecular weight of 325.39 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclopropyl]benzoate is sourced from PubChem (CID 171784211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).