18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene

C19H10FNS3 — CID 162415822

IUPAC18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene
SMILESCc1ccc2c(c1)sc1c2sc2c3[nH]c4ccc(F)cc4c3sc21
InChIInChI=1S/C19H10FNS3/c1-8-2-4-10-13(6-8)22-18-16(10)24-17-14-15(23-19(17)18)11-7-9(20)3-5-12(11)21-14/h2-7,21H,1H3
InChIKeySXGDURHLZFHGRX-UHFFFAOYSA-N
MW367.50 g/mol
LogP7.41
Rot. Bonds

About 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene

18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene (PubChem CID 162415822) has the molecular formula C19H10FNS3 and a molecular weight of 367.50 g/mol. Its IUPAC name is 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene.

Molecular Properties

Compound Name18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene
PubChem CID162415822
Molecular FormulaC19H10FNS3
Molecular Weight367.50 g/mol
Exact Mass367.00
IUPAC Name18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene
SMILESCc1ccc2c(c1)sc1c2sc2c3[nH]c4ccc(F)cc4c3sc21
InChIInChI=1S/C19H10FNS3/c1-8-2-4-10-13(6-8)22-18-16(10)24-17-14-15(23-19(17)18)11-7-9(20)3-5-12(11)21-14/h2-7,21H,1H3
InChIKeySXGDURHLZFHGRX-UHFFFAOYSA-N
XLogP7.41
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.50
LogP ≤ 57.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene?
The IUPAC name of 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene (CID 162415822) is 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene.
What is the SMILES notation for 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene?
The canonical SMILES for 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene is Cc1ccc2c(c1)sc1c2sc2c3[nH]c4ccc(F)cc4c3sc21.
What is the InChIKey of 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene?
The InChIKey is SXGDURHLZFHGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10FNS3/c1-8-2-4-10-13(6-8)22-18-16(10)24-17-14-15(23-19(17)18)11-7-9(20)3-5-12(11)21-14/h2-7,21H,1H3.
What are the key properties of 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene?
18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene has a molecular weight of 367.50 g/mol, XLogP of 7.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-fluoro-6-methyl-3,11,22-trithia-14-azahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-1(12),2(10),4(9),5,7,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 162415822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).