1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one

C15H17N3OS2 — CID 135634551

IUPAC1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
SMILESO=C1CSC(c2cccs2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C15H17N3OS2/c19-13-9-21-14(12-6-3-7-20-12)11-8-16-18(15(11)17-13)10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2,(H,17,19)
InChIKeyBQYUHDAMYNOLHG-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.83
Rot. Bonds2

About 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one

1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (PubChem CID 135634551) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
PubChem CID135634551
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one
SMILESO=C1CSC(c2cccs2)c2cnn(C3CCCC3)c2N1
InChIInChI=1S/C15H17N3OS2/c19-13-9-21-14(12-6-3-7-20-12)11-8-16-18(15(11)17-13)10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2,(H,17,19)
InChIKeyBQYUHDAMYNOLHG-UHFFFAOYSA-N
XLogP3.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one?
The IUPAC name of 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one (CID 135634551) is 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one.
What is the SMILES notation for 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one?
The canonical SMILES for 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one is O=C1CSC(c2cccs2)c2cnn(C3CCCC3)c2N1.
What is the InChIKey of 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one?
The InChIKey is BQYUHDAMYNOLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c19-13-9-21-14(12-6-3-7-20-12)11-8-16-18(15(11)17-13)10-4-1-2-5-10/h3,6-8,10,14H,1-2,4-5,9H2,(H,17,19).
What are the key properties of 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one?
1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one has a molecular weight of 319.46 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-thiophen-2-yl-4,8-dihydropyrazolo[5,4-e][1,4]thiazepin-7-one is sourced from PubChem (CID 135634551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).