CID 11990885

C22H18N3S — CID 11990885

IUPAC—
SMILESCN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)nn3C)ccc21
InChIInChI=1S/C22H18N3S/c1-24-18-9-5-6-10-21(18)26-22-13-16(11-12-19(22)24)20-14-17(23-25(20)2)15-7-3-4-8-15/h3-14H,1-2H3
InChIKeyUCZWEKRXMQKCKM-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.07
Rot. Bonds2

About CID 11990885

CID 11990885 (PubChem CID 11990885) has the molecular formula C22H18N3S and a molecular weight of 356.47 g/mol.

Molecular Properties

Compound NameCID 11990885
PubChem CID11990885
Molecular FormulaC22H18N3S
Molecular Weight356.47 g/mol
Exact Mass356.12
IUPAC Name—
SMILESCN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)nn3C)ccc21
InChIInChI=1S/C22H18N3S/c1-24-18-9-5-6-10-21(18)26-22-13-16(11-12-19(22)24)20-14-17(23-25(20)2)15-7-3-4-8-15/h3-14H,1-2H3
InChIKeyUCZWEKRXMQKCKM-UHFFFAOYSA-N
XLogP5.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 11990885?
The IUPAC name of CID 11990885 (CID 11990885) is not available.
What is the SMILES notation for CID 11990885?
The canonical SMILES for CID 11990885 is CN1c2ccccc2Sc2cc(-c3cc([C]4[CH][CH][CH][CH]4)nn3C)ccc21.
What is the InChIKey of CID 11990885?
The InChIKey is UCZWEKRXMQKCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N3S/c1-24-18-9-5-6-10-21(18)26-22-13-16(11-12-19(22)24)20-14-17(23-25(20)2)15-7-3-4-8-15/h3-14H,1-2H3.
What are the key properties of CID 11990885?
CID 11990885 has a molecular weight of 356.47 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11990885 is sourced from PubChem (CID 11990885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).