spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]

C14H15N3S — CID 155813176

IUPACspiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]
SMILESc1ccc2c(c1)NC1(CCSCC1)n1nccc1-2
InChIInChI=1S/C14H15N3S/c1-2-4-12-11(3-1)13-5-8-15-17(13)14(16-12)6-9-18-10-7-14/h1-5,8,16H,6-7,9-10H2
InChIKeyQYIFWHGLJBADKP-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.16
Rot. Bonds

About spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]

spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane] (PubChem CID 155813176) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane].

Molecular Properties

Compound Namespiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]
PubChem CID155813176
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Namespiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]
SMILESc1ccc2c(c1)NC1(CCSCC1)n1nccc1-2
InChIInChI=1S/C14H15N3S/c1-2-4-12-11(3-1)13-5-8-15-17(13)14(16-12)6-9-18-10-7-14/h1-5,8,16H,6-7,9-10H2
InChIKeyQYIFWHGLJBADKP-UHFFFAOYSA-N
XLogP3.16
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]?
The IUPAC name of spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane] (CID 155813176) is spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane].
What is the SMILES notation for spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]?
The canonical SMILES for spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane] is c1ccc2c(c1)NC1(CCSCC1)n1nccc1-2.
What is the InChIKey of spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]?
The InChIKey is QYIFWHGLJBADKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-2-4-12-11(3-1)13-5-8-15-17(13)14(16-12)6-9-18-10-7-14/h1-5,8,16H,6-7,9-10H2.
What are the key properties of spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane]?
spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane] has a molecular weight of 257.36 g/mol, XLogP of 3.16, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[6H-pyrazolo[1,5-c]quinazoline-5,4'-thiane] is sourced from PubChem (CID 155813176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).