3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide

C18H26N2O2S — CID 132967895

IUPAC3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(\C)C(=O)N1CSCC1C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C18H26N2O2S/c1-3-4-10(2)18(22)20-9-23-8-13(20)17(21)19-16-14-11-5-6-12(7-11)15(14)16/h4,11-16H,3,5-9H2,1-2H3,(H,19,21)/b10-4+
InChIKeyJVPRCVJPBJTTRM-ONNFQVAWSA-N
MW334.49 g/mol
LogP2.40
Rot. Bonds4

About 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide

3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide (PubChem CID 132967895) has the molecular formula C18H26N2O2S and a molecular weight of 334.49 g/mol. Its IUPAC name is 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide
PubChem CID132967895
Molecular FormulaC18H26N2O2S
Molecular Weight334.49 g/mol
Exact Mass334.17
IUPAC Name3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide
SMILESCC/C=C(\C)C(=O)N1CSCC1C(=O)NC1C2C3CCC(C3)C12
InChIInChI=1S/C18H26N2O2S/c1-3-4-10(2)18(22)20-9-23-8-13(20)17(21)19-16-14-11-5-6-12(7-11)15(14)16/h4,11-16H,3,5-9H2,1-2H3,(H,19,21)/b10-4+
InChIKeyJVPRCVJPBJTTRM-ONNFQVAWSA-N
XLogP2.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide?
The IUPAC name of 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide (CID 132967895) is 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide is CC/C=C(\C)C(=O)N1CSCC1C(=O)NC1C2C3CCC(C3)C12.
What is the InChIKey of 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide?
The InChIKey is JVPRCVJPBJTTRM-ONNFQVAWSA-N. The full InChI is InChI=1S/C18H26N2O2S/c1-3-4-10(2)18(22)20-9-23-8-13(20)17(21)19-16-14-11-5-6-12(7-11)15(14)16/h4,11-16H,3,5-9H2,1-2H3,(H,19,21)/b10-4+.
What are the key properties of 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide?
3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide has a molecular weight of 334.49 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methylpent-2-enoyl]-N-(3-tricyclo[3.2.1.02,4]octanyl)-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 132967895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).