[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

C16H20N4O2S3 — CID 49216993

IUPAC[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nn(C)c2sc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc12
InChIInChI=1S/C16H20N4O2S3/c1-10-11-7-13(25-16(11)18(2)17-10)15(22)20-9-24-8-12(20)14(21)19-3-5-23-6-4-19/h7,12H,3-6,8-9H2,1-2H3
InChIKeyNBLOOYGJZXGLAB-UHFFFAOYSA-N
MW396.56 g/mol
LogP2.03
Rot. Bonds2

About [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone

[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 49216993) has the molecular formula C16H20N4O2S3 and a molecular weight of 396.56 g/mol. Its IUPAC name is [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID49216993
Molecular FormulaC16H20N4O2S3
Molecular Weight396.56 g/mol
Exact Mass396.07
IUPAC Name[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESCc1nn(C)c2sc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc12
InChIInChI=1S/C16H20N4O2S3/c1-10-11-7-13(25-16(11)18(2)17-10)15(22)20-9-24-8-12(20)14(21)19-3-5-23-6-4-19/h7,12H,3-6,8-9H2,1-2H3
InChIKeyNBLOOYGJZXGLAB-UHFFFAOYSA-N
XLogP2.03
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone (CID 49216993) is [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is Cc1nn(C)c2sc(C(=O)N3CSCC3C(=O)N3CCSCC3)cc12.
What is the InChIKey of [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is NBLOOYGJZXGLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S3/c1-10-11-7-13(25-16(11)18(2)17-10)15(22)20-9-24-8-12(20)14(21)19-3-5-23-6-4-19/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone?
[3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 396.56 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 49216993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).