(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine

C19H17N3S — CID 641980

IUPAC(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine
SMILESCC1=CSC2=N[C@H](c3ccccc3)CC(c3ccccc3)=NN12
InChIInChI=1S/C19H17N3S/c1-14-13-23-19-20-17(15-8-4-2-5-9-15)12-18(21-22(14)19)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3/t17-/m0/s1
InChIKeyKGXKNGAFKMDVAQ-KRWDZBQOSA-N
MW319.43 g/mol
LogP4.80
Rot. Bonds2

About (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine

(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine (PubChem CID 641980) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine.

Molecular Properties

Compound Name(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine
PubChem CID641980
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine
SMILESCC1=CSC2=N[C@H](c3ccccc3)CC(c3ccccc3)=NN12
InChIInChI=1S/C19H17N3S/c1-14-13-23-19-20-17(15-8-4-2-5-9-15)12-18(21-22(14)19)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3/t17-/m0/s1
InChIKeyKGXKNGAFKMDVAQ-KRWDZBQOSA-N
XLogP4.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The IUPAC name of (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine (CID 641980) is (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine.
What is the SMILES notation for (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The canonical SMILES for (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine is CC1=CSC2=N[C@H](c3ccccc3)CC(c3ccccc3)=NN12.
What is the InChIKey of (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
The InChIKey is KGXKNGAFKMDVAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3S/c1-14-13-23-19-20-17(15-8-4-2-5-9-15)12-18(21-22(14)19)16-10-6-3-7-11-16/h2-11,13,17H,12H2,1H3/t17-/m0/s1.
What are the key properties of (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine?
(8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine has a molecular weight of 319.43 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-3-methyl-6,8-diphenyl-7,8-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazepine is sourced from PubChem (CID 641980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).