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

C10H8N4S2 — CID 3956601

IUPAC4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1ccnc1Sc1ncnc2sccc12
InChIInChI=1S/C10H8N4S2/c1-14-4-3-11-10(14)16-9-7-2-5-15-8(7)12-6-13-9/h2-6H,1H3
InChIKeySBVLQTWFRBGSQP-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.58
Rot. Bonds2

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

4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 3956601) has the molecular formula C10H8N4S2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID3956601
Molecular FormulaC10H8N4S2
Molecular Weight248.34 g/mol
Exact Mass248.02
IUPAC Name4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESCn1ccnc1Sc1ncnc2sccc12
InChIInChI=1S/C10H8N4S2/c1-14-4-3-11-10(14)16-9-7-2-5-15-8(7)12-6-13-9/h2-6H,1H3
InChIKeySBVLQTWFRBGSQP-UHFFFAOYSA-N
XLogP2.58
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine (CID 3956601) is 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine is Cn1ccnc1Sc1ncnc2sccc12.
What is the InChIKey of 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is SBVLQTWFRBGSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4S2/c1-14-4-3-11-10(14)16-9-7-2-5-15-8(7)12-6-13-9/h2-6H,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine?
4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 248.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 3956601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).