3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

C18H16N6OS3 — CID 33363330

IUPAC3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)nc2ccsc2c1=O
InChIInChI=1S/C18H16N6OS3/c1-2-23-16(25)14-13(5-8-26-14)20-17(23)27-9-12-10-28-18-22-21-15(24(12)18)11-3-6-19-7-4-11/h3-8,12H,2,9-10H2,1H3/t12-/m1/s1
InChIKeyLQLFCNNJAJQJNW-GFCCVEGCSA-N
MW428.57 g/mol
LogP3.57
Rot. Bonds5

About 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 33363330) has the molecular formula C18H16N6OS3 and a molecular weight of 428.57 g/mol. Its IUPAC name is 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID33363330
Molecular FormulaC18H16N6OS3
Molecular Weight428.57 g/mol
Exact Mass428.05
IUPAC Name3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
SMILESCCn1c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)nc2ccsc2c1=O
InChIInChI=1S/C18H16N6OS3/c1-2-23-16(25)14-13(5-8-26-14)20-17(23)27-9-12-10-28-18-22-21-15(24(12)18)11-3-6-19-7-4-11/h3-8,12H,2,9-10H2,1H3/t12-/m1/s1
InChIKeyLQLFCNNJAJQJNW-GFCCVEGCSA-N
XLogP3.57
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.57
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-ethyl-2-[(3-phenyl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one
CID 42891387
3-ethyl-2-propylsulfanylthieno[3,2-d]pyrimidin-4-one
CID 3484012
(5S)-5-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 33275200
N-cyclopropyl-2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetamide
CID 35198363
1-[2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylethyl]pyrrolidine-2,5-dione
CID 38663357
2-(furan-2-yl)-5-[[(5S)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 33279095
2-[(2,5-dimethylphenyl)methylsulfanyl]-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567859
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-ethylthieno[3,2-d]pyrimidin-4-one
CID 46567768
2-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(2-methylphenyl)acetamide
CID 35198091
3-ethyl-2-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]sulfanylthieno[3,2-d]pyrimidin-4-one
CID 35197962
5-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-3-pyridin-3-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazole
CID 55604320
(2R)-4-(3-ethyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxobutanenitrile
CID 30803812

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one (CID 33363330) is 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is CCn1c(SC[C@@H]2CSc3nnc(-c4ccncc4)n32)nc2ccsc2c1=O.
What is the InChIKey of 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is LQLFCNNJAJQJNW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H16N6OS3/c1-2-23-16(25)14-13(5-8-26-14)20-17(23)27-9-12-10-28-18-22-21-15(24(12)18)11-3-6-19-7-4-11/h3-8,12H,2,9-10H2,1H3/t12-/m1/s1.
What are the key properties of 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one?
3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 428.57 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[[(5R)-3-pyridin-4-yl-5,6-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-yl]methylsulfanyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 33363330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).