5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine

C14H15N3S — CID 69215799

IUPAC5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine
SMILESCC(C)c1cc2c(s1)NC=c1cccnc1=C2N
InChIInChI=1S/C14H15N3S/c1-8(2)11-6-10-12(15)13-9(4-3-5-16-13)7-17-14(10)18-11/h3-8,17H,15H2,1-2H3
InChIKeyVCEZONKMNGAILY-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.55
Rot. Bonds1

About 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine

5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine (PubChem CID 69215799) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine
PubChem CID69215799
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine
SMILESCC(C)c1cc2c(s1)NC=c1cccnc1=C2N
InChIInChI=1S/C14H15N3S/c1-8(2)11-6-10-12(15)13-9(4-3-5-16-13)7-17-14(10)18-11/h3-8,17H,15H2,1-2H3
InChIKeyVCEZONKMNGAILY-UHFFFAOYSA-N
XLogP1.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine?
The IUPAC name of 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine (CID 69215799) is 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine.
What is the SMILES notation for 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine?
The canonical SMILES for 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine is CC(C)c1cc2c(s1)NC=c1cccnc1=C2N.
What is the InChIKey of 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine?
The InChIKey is VCEZONKMNGAILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-8(2)11-6-10-12(15)13-9(4-3-5-16-13)7-17-14(10)18-11/h3-8,17H,15H2,1-2H3.
What are the key properties of 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine?
5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-6-thia-8,14-diazatricyclo[8.4.0.03,7]tetradeca-1,3(7),4,9,11,13-hexaen-2-amine is sourced from PubChem (CID 69215799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).