7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

C15H14N8S2 — CID 166243412

IUPAC7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCN(c3ncnc4scnc34)CC2)c2ncsc2n1
InChIInChI=1S/C15H14N8S2/c1-2-22(12-10-14(18-6-16-12)24-8-20-10)4-5-23(3-1)13-11-15(19-7-17-13)25-9-21-11/h6-9H,1-5H2
InChIKeyAVMOBJPTYSUSAZ-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.20
Rot. Bonds2

About 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine

7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (PubChem CID 166243412) has the molecular formula C15H14N8S2 and a molecular weight of 370.47 g/mol. Its IUPAC name is 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
PubChem CID166243412
Molecular FormulaC15H14N8S2
Molecular Weight370.47 g/mol
Exact Mass370.08
IUPAC Name7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
SMILESc1nc(N2CCCN(c3ncnc4scnc34)CC2)c2ncsc2n1
InChIInChI=1S/C15H14N8S2/c1-2-22(12-10-14(18-6-16-12)24-8-20-10)4-5-23(3-1)13-11-15(19-7-17-13)25-9-21-11/h6-9H,1-5H2
InChIKeyAVMOBJPTYSUSAZ-UHFFFAOYSA-N
XLogP2.20
TPSA83.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine with MolForge

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Related Compounds

7-(4-iodopyrazol-1-yl)-[1,3]thiazolo[5,4-d]pyrimidine
CID 131187562
6-methyl-4-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]thieno[2,3-d]pyrimidine
CID 133408657
2-(methoxymethyl)-4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 122154681
2-cyclopropyl-6-methyl-4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)morpholine
CID 122154680
7-[(2S)-2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 146140749
7-[2-(2,6-difluoro-3-methylphenyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 166279009
1-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)cyclobutan-1-amine
CID 131113925
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
7-piperazin-1-ylthiadiazolo[5,4-d]pyrimidine
CID 83849820
6-(azetidin-1-yl)-9-methylpurine
CID 147079717
6-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 2229510
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765

Frequently Asked Questions

What is the IUPAC name of 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The IUPAC name of 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine (CID 166243412) is 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine.
What is the SMILES notation for 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The canonical SMILES for 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is c1nc(N2CCCN(c3ncnc4scnc34)CC2)c2ncsc2n1.
What is the InChIKey of 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
The InChIKey is AVMOBJPTYSUSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N8S2/c1-2-22(12-10-14(18-6-16-12)24-8-20-10)4-5-23(3-1)13-11-15(19-7-17-13)25-9-21-11/h6-9H,1-5H2.
What are the key properties of 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine?
7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine has a molecular weight of 370.47 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-([1,3]thiazolo[5,4-d]pyrimidin-7-yl)-1,4-diazepan-1-yl]-[1,3]thiazolo[5,4-d]pyrimidine is sourced from PubChem (CID 166243412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).