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

C16H11ClN6S2 — CID 9360569

IUPAC5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Sc4nnnn4C4CC4)c23)cc1
InChIInChI=1S/C16H11ClN6S2/c17-10-3-1-9(2-4-10)12-7-24-14-13(12)15(19-8-18-14)25-16-20-21-22-23(16)11-5-6-11/h1-4,7-8,11H,5-6H2
InChIKeyZGSLTPHRQMMSRM-UHFFFAOYSA-N
MW386.89 g/mol
LogP4.48
Rot. Bonds4

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

5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (PubChem CID 9360569) has the molecular formula C16H11ClN6S2 and a molecular weight of 386.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
PubChem CID9360569
Molecular FormulaC16H11ClN6S2
Molecular Weight386.89 g/mol
Exact Mass386.02
IUPAC Name5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(Sc4nnnn4C4CC4)c23)cc1
InChIInChI=1S/C16H11ClN6S2/c17-10-3-1-9(2-4-10)12-7-24-14-13(12)15(19-8-18-14)25-16-20-21-22-23(16)11-5-6-11/h1-4,7-8,11H,5-6H2
InChIKeyZGSLTPHRQMMSRM-UHFFFAOYSA-N
XLogP4.48
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.89
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine (CID 9360569) is 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is Clc1ccc(-c2csc3ncnc(Sc4nnnn4C4CC4)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
The InChIKey is ZGSLTPHRQMMSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN6S2/c17-10-3-1-9(2-4-10)12-7-24-14-13(12)15(19-8-18-14)25-16-20-21-22-23(16)11-5-6-11/h1-4,7-8,11H,5-6H2.
What are the key properties of 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine?
5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine has a molecular weight of 386.89 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(1-cyclopropyltetrazol-5-yl)sulfanylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 9360569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).