(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

C16H14N4S2 — CID 97260385

IUPAC(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)cc1
InChIInChI=1S/C16H14N4S2/c1-2-6-13(7-3-1)21-11-14-10-20-15(18-19-16(20)22-14)12-5-4-8-17-9-12/h1-9,14H,10-11H2/t14-/m1/s1
InChIKeyJVYRGJMQGUBGNS-CQSZACIVSA-N
MW326.45 g/mol
LogP3.61
Rot. Bonds4

About (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole

(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 97260385) has the molecular formula C16H14N4S2 and a molecular weight of 326.45 g/mol. Its IUPAC name is (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID97260385
Molecular FormulaC16H14N4S2
Molecular Weight326.45 g/mol
Exact Mass326.07
IUPAC Name(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESc1ccc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)cc1
InChIInChI=1S/C16H14N4S2/c1-2-6-13(7-3-1)21-11-14-10-20-15(18-19-16(20)22-14)12-5-4-8-17-9-12/h1-9,14H,10-11H2/t14-/m1/s1
InChIKeyJVYRGJMQGUBGNS-CQSZACIVSA-N
XLogP3.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole with MolForge

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Related Compounds

(6R)-3-pyridin-3-yl-6-(1,3-thiazol-2-ylsulfanylmethyl)-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 97260402
3-pyridin-3-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine
CID 157014981
5-pyridin-3-yl-12-oxa-9-thia-3,4,6,7-tetrazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,5,7,14,16,18,20-octaene
CID 11603147
6-pyridin-2-yl-3-pyridin-3-yl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine
CID 2747912
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013
4-[[4-[(3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]quinazolin-2-yl]methyl]morpholine
CID 55600281
6-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazin-6-ium
CID 7052244
(6R)-6-[(E)-prop-1-enyl]-3-pyridin-3-yl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 7052114
[4-(phenylsulfanylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84514656
2-(2-methylphenyl)-1-[(1R,9S)-4-pyridin-3-yl-3,5,6,12-tetrazatricyclo[7.2.1.03,7]dodeca-4,6-dien-12-yl]ethanone
CID 163337193
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2360333
3-[4-benzyl-5-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 112785555

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 97260385) is (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is c1ccc(SC[C@H]2Cn3c(nnc3-c3cccnc3)S2)cc1.
What is the InChIKey of (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is JVYRGJMQGUBGNS-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14N4S2/c1-2-6-13(7-3-1)21-11-14-10-20-15(18-19-16(20)22-14)12-5-4-8-17-9-12/h1-9,14H,10-11H2/t14-/m1/s1.
What are the key properties of (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole?
(6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 326.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(phenylsulfanylmethyl)-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 97260385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).