4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

C10H8N6S2 — CID 9207091

IUPAC4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESc1nc(Sc2nnnn2C2CC2)c2ccsc2n1
InChIInChI=1S/C10H8N6S2/c1-2-6(1)16-10(13-14-15-16)18-9-7-3-4-17-8(7)11-5-12-9/h3-6H,1-2H2
InChIKeyNSNFZKKCMDBTAZ-UHFFFAOYSA-N
MW276.35 g/mol
LogP2.16
Rot. Bonds3

About 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine

4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 9207091) has the molecular formula C10H8N6S2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID9207091
Molecular FormulaC10H8N6S2
Molecular Weight276.35 g/mol
Exact Mass276.03
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESc1nc(Sc2nnnn2C2CC2)c2ccsc2n1
InChIInChI=1S/C10H8N6S2/c1-2-6(1)16-10(13-14-15-16)18-9-7-3-4-17-8(7)11-5-12-9/h3-6H,1-2H2
InChIKeyNSNFZKKCMDBTAZ-UHFFFAOYSA-N
XLogP2.16
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 9207091) is 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is c1nc(Sc2nnnn2C2CC2)c2ccsc2n1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is NSNFZKKCMDBTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6S2/c1-2-6(1)16-10(13-14-15-16)18-9-7-3-4-17-8(7)11-5-12-9/h3-6H,1-2H2.
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 276.35 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 9207091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).