2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

C17H16N6S2 — CID 133404746

IUPAC2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnc(-c3ccccn3)n2CC)c2ccsc2n1
InChIInChI=1S/C17H16N6S2/c1-3-13-19-15-11(8-10-24-15)16(20-13)25-17-22-21-14(23(17)4-2)12-7-5-6-9-18-12/h5-10H,3-4H2,1-2H3
InChIKeyHRHRKFNWZDZHPI-UHFFFAOYSA-N
MW368.49 g/mol
LogP4.08
Rot. Bonds5

About 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 133404746) has the molecular formula C17H16N6S2 and a molecular weight of 368.49 g/mol. Its IUPAC name is 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID133404746
Molecular FormulaC17H16N6S2
Molecular Weight368.49 g/mol
Exact Mass368.09
IUPAC Name2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnc(-c3ccccn3)n2CC)c2ccsc2n1
InChIInChI=1S/C17H16N6S2/c1-3-13-19-15-11(8-10-24-15)16(20-13)25-17-22-21-14(23(17)4-2)12-7-5-6-9-18-12/h5-10H,3-4H2,1-2H3
InChIKeyHRHRKFNWZDZHPI-UHFFFAOYSA-N
XLogP4.08
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine with MolForge

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Related Compounds

2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404753
2-ethyl-4-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404754
5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 133492994
2-ethyl-4-(1-propan-2-yltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
CID 91646376
4-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 155949935
4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridin-2-yl-1,3-thiazole
CID 30758253
2-[4-ethyl-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 938037
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide
CID 71006004
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]pyridine
CID 126122361
3-ethyl-5-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1,2,4-thiadiazole
CID 133426983
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654
2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 112770648

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 133404746) is 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is CCc1nc(Sc2nnc(-c3ccccn3)n2CC)c2ccsc2n1.
What is the InChIKey of 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is HRHRKFNWZDZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6S2/c1-3-13-19-15-11(8-10-24-15)16(20-13)25-17-22-21-14(23(17)4-2)12-7-5-6-9-18-12/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 368.49 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133404746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).