[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone

C17H19N3O2S3 — CID 45244037

IUPAC[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(C2CCCN2C(=O)c2cscn2)s1)N1CCSCC1
InChIInChI=1S/C17H19N3O2S3/c21-16(12-10-24-11-18-12)20-5-1-2-13(20)14-3-4-15(25-14)17(22)19-6-8-23-9-7-19/h3-4,10-11,13H,1-2,5-9H2
InChIKeyYGCCPBDUYHIABA-UHFFFAOYSA-N
MW393.56 g/mol
LogP3.37
Rot. Bonds3

About [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone

[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 45244037) has the molecular formula C17H19N3O2S3 and a molecular weight of 393.56 g/mol. Its IUPAC name is [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID45244037
Molecular FormulaC17H19N3O2S3
Molecular Weight393.56 g/mol
Exact Mass393.06
IUPAC Name[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(c1ccc(C2CCCN2C(=O)c2cscn2)s1)N1CCSCC1
InChIInChI=1S/C17H19N3O2S3/c21-16(12-10-24-11-18-12)20-5-1-2-13(20)14-3-4-15(25-14)17(22)19-6-8-23-9-7-19/h3-4,10-11,13H,1-2,5-9H2
InChIKeyYGCCPBDUYHIABA-UHFFFAOYSA-N
XLogP3.37
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone (CID 45244037) is [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone is O=C(c1ccc(C2CCCN2C(=O)c2cscn2)s1)N1CCSCC1.
What is the InChIKey of [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is YGCCPBDUYHIABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S3/c21-16(12-10-24-11-18-12)20-5-1-2-13(20)14-3-4-15(25-14)17(22)19-6-8-23-9-7-19/h3-4,10-11,13H,1-2,5-9H2.
What are the key properties of [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
[5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 393.56 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 45244037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).