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

C16H14N6S2 — CID 133404753

IUPAC2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnc(-c3ccccn3)n2C)c2ccsc2n1
InChIInChI=1S/C16H14N6S2/c1-3-12-18-14-10(7-9-23-14)15(19-12)24-16-21-20-13(22(16)2)11-6-4-5-8-17-11/h4-9H,3H2,1-2H3
InChIKeyYPCCYBJBLSOOBG-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.60
Rot. Bonds4

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

2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (PubChem CID 133404753) has the molecular formula C16H14N6S2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
PubChem CID133404753
Molecular FormulaC16H14N6S2
Molecular Weight354.46 g/mol
Exact Mass354.07
IUPAC Name2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
SMILESCCc1nc(Sc2nnc(-c3ccccn3)n2C)c2ccsc2n1
InChIInChI=1S/C16H14N6S2/c1-3-12-18-14-10(7-9-23-14)15(19-12)24-16-21-20-13(22(16)2)11-6-4-5-8-17-11/h4-9H,3H2,1-2H3
InChIKeyYPCCYBJBLSOOBG-UHFFFAOYSA-N
XLogP3.60
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-ethyl-4-[(4-methyl-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-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine
CID 133404746
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
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-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]thieno[2,3-d]pyrimidine
CID 17421443
N,N-dimethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133420955
2-[(2-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-N-pyridin-2-ylacetamide
CID 133404654
(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)methanamine
CID 82125481
5-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrazine-2-carbonitrile
CID 133492994
2-[5-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]pyridine
CID 1264926
4-ethyl-5-fluoro-6-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]pyrimidine
CID 133420889
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63482049

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The IUPAC name of 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine (CID 133404753) is 2-ethyl-4-[(4-methyl-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-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is CCc1nc(Sc2nnc(-c3ccccn3)n2C)c2ccsc2n1.
What is the InChIKey of 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
The InChIKey is YPCCYBJBLSOOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6S2/c1-3-12-18-14-10(7-9-23-14)15(19-12)24-16-21-20-13(22(16)2)11-6-4-5-8-17-11/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine?
2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine has a molecular weight of 354.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 133404753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).