5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

C10H9N5S3 — CID 2807642

IUPAC5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCc1cc2c(Sc3nnc(N)s3)ncnc2s1
InChIInChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14)
InChIKeyAUPONMVZYSWRCP-UHFFFAOYSA-N
MW295.42 g/mol
LogP2.84
Rot. Bonds3

About 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine

5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (PubChem CID 2807642) has the molecular formula C10H9N5S3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
PubChem CID2807642
Molecular FormulaC10H9N5S3
Molecular Weight295.42 g/mol
Exact Mass295.00
IUPAC Name5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine
SMILESCCc1cc2c(Sc3nnc(N)s3)ncnc2s1
InChIInChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14)
InChIKeyAUPONMVZYSWRCP-UHFFFAOYSA-N
XLogP2.84
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine (CID 2807642) is 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is CCc1cc2c(Sc3nnc(N)s3)ncnc2s1.
What is the InChIKey of 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
The InChIKey is AUPONMVZYSWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5S3/c1-2-5-3-6-7(16-5)12-4-13-8(6)17-10-15-14-9(11)18-10/h3-4H,2H2,1H3,(H2,11,14).
What are the key properties of 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine?
5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine has a molecular weight of 295.42 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2807642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).