3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

C15H20N2OS — CID 23740893

IUPAC3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2CC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-16(2)13-7-5-12(6-8-13)15-17(9-11-3-4-11)14(18)10-19-15/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyZZMXHSPXGLOJOE-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.74
Rot. Bonds4

About 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one

3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (PubChem CID 23740893) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
PubChem CID23740893
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(C2SCC(=O)N2CC2CC2)cc1
InChIInChI=1S/C15H20N2OS/c1-16(2)13-7-5-12(6-8-13)15-17(9-11-3-4-11)14(18)10-19-15/h5-8,11,15H,3-4,9-10H2,1-2H3
InChIKeyZZMXHSPXGLOJOE-UHFFFAOYSA-N
XLogP2.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one (CID 23740893) is 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is CN(C)c1ccc(C2SCC(=O)N2CC2CC2)cc1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
The InChIKey is ZZMXHSPXGLOJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-16(2)13-7-5-12(6-8-13)15-17(9-11-3-4-11)14(18)10-19-15/h5-8,11,15H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one?
3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one has a molecular weight of 276.41 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-[4-(dimethylamino)phenyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 23740893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).