CID 46855617

C20H20N3S — CID 46855617

IUPAC—
SMILESCSc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H20N3S/c1-24-17-10-8-16(9-11-17)19-14-18(15-6-2-3-7-15)21-20(22-19)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyVNVCBSFWGWJDIB-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.22
Rot. Bonds4

About CID 46855617

CID 46855617 (PubChem CID 46855617) has the molecular formula C20H20N3S and a molecular weight of 334.47 g/mol.

Molecular Properties

Compound NameCID 46855617
PubChem CID46855617
Molecular FormulaC20H20N3S
Molecular Weight334.47 g/mol
Exact Mass334.14
IUPAC Name—
SMILESCSc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCC3)n2)cc1
InChIInChI=1S/C20H20N3S/c1-24-17-10-8-16(9-11-17)19-14-18(15-6-2-3-7-15)21-20(22-19)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3
InChIKeyVNVCBSFWGWJDIB-UHFFFAOYSA-N
XLogP4.22
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 46855617?
The IUPAC name of CID 46855617 (CID 46855617) is not available.
What is the SMILES notation for CID 46855617?
The canonical SMILES for CID 46855617 is CSc1ccc(-c2cc([C]3[CH][CH][CH][CH]3)nc(N3CCCC3)n2)cc1.
What is the InChIKey of CID 46855617?
The InChIKey is VNVCBSFWGWJDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N3S/c1-24-17-10-8-16(9-11-17)19-14-18(15-6-2-3-7-15)21-20(22-19)23-12-4-5-13-23/h2-3,6-11,14H,4-5,12-13H2,1H3.
What are the key properties of CID 46855617?
CID 46855617 has a molecular weight of 334.47 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46855617 is sourced from PubChem (CID 46855617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).