1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

C16H25N5O2S — CID 648094

IUPAC1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H25N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,20,22)
InChIKeyMUSDRYIBCNHBTF-UHFFFAOYSA-N
MW351.48 g/mol
LogP2.55
Rot. Bonds4

About 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide

1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (PubChem CID 648094) has the molecular formula C16H25N5O2S and a molecular weight of 351.48 g/mol. Its IUPAC name is 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
PubChem CID648094
Molecular FormulaC16H25N5O2S
Molecular Weight351.48 g/mol
Exact Mass351.17
IUPAC Name1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide
SMILESCCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1
InChIInChI=1S/C16H25N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,20,22)
InChIKeyMUSDRYIBCNHBTF-UHFFFAOYSA-N
XLogP2.55
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide (CID 648094) is 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is CCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1.
What is the InChIKey of 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is MUSDRYIBCNHBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2S/c1-2-13-19-20-15(24-13)18-14(22)12-9-6-10-21(12)16(23)17-11-7-4-3-5-8-11/h11-12H,2-10H2,1H3,(H,17,23)(H,18,20,22).
What are the key properties of 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide?
1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 351.48 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-2-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 648094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).