[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone

C18H22N4O2S2 — CID 45226288

IUPAC[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cnc(C(=O)N2CCCC2c2ccc(C(=O)N3CCSCC3)s2)[nH]1
InChIInChI=1S/C18H22N4O2S2/c1-12-11-19-16(20-12)18(24)22-6-2-3-13(22)14-4-5-15(26-14)17(23)21-7-9-25-10-8-21/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyCNEJFTPSVQYGMZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP2.95
Rot. Bonds3

About [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone

[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone (PubChem CID 45226288) has the molecular formula C18H22N4O2S2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
PubChem CID45226288
Molecular FormulaC18H22N4O2S2
Molecular Weight390.53 g/mol
Exact Mass390.12
IUPAC Name[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone
SMILESCc1cnc(C(=O)N2CCCC2c2ccc(C(=O)N3CCSCC3)s2)[nH]1
InChIInChI=1S/C18H22N4O2S2/c1-12-11-19-16(20-12)18(24)22-6-2-3-13(22)14-4-5-15(26-14)17(23)21-7-9-25-10-8-21/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,20)
InChIKeyCNEJFTPSVQYGMZ-UHFFFAOYSA-N
XLogP2.95
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone (CID 45226288) is [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone is Cc1cnc(C(=O)N2CCCC2c2ccc(C(=O)N3CCSCC3)s2)[nH]1.
What is the InChIKey of [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is CNEJFTPSVQYGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S2/c1-12-11-19-16(20-12)18(24)22-6-2-3-13(22)14-4-5-15(26-14)17(23)21-7-9-25-10-8-21/h4-5,11,13H,2-3,6-10H2,1H3,(H,19,20).
What are the key properties of [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone?
[5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 390.53 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(5-methyl-1H-imidazole-2-carbonyl)pyrrolidin-2-yl]thiophen-2-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 45226288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).