(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

C17H18N4OS — CID 135524556

IUPAC(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN(C)CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C17H18N4OS/c1-21(2)9-8-19-17-20-16(22)15(23-17)11-12-5-6-14-13(10-12)4-3-7-18-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,22)/b15-11-
InChIKeyBUABATYPAYQOMQ-PTNGSMBKSA-N
MW326.43 g/mol
LogP2.36
Rot. Bonds4

About (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 135524556) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID135524556
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCN(C)CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1
InChIInChI=1S/C17H18N4OS/c1-21(2)9-8-19-17-20-16(22)15(23-17)11-12-5-6-14-13(10-12)4-3-7-18-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,22)/b15-11-
InChIKeyBUABATYPAYQOMQ-PTNGSMBKSA-N
XLogP2.36
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one (CID 135524556) is (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is CN(C)CC/N=C1\NC(=O)/C(=C/c2ccc3ncccc3c2)S1.
What is the InChIKey of (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is BUABATYPAYQOMQ-PTNGSMBKSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-21(2)9-8-19-17-20-16(22)15(23-17)11-12-5-6-14-13(10-12)4-3-7-18-14/h3-7,10-11H,8-9H2,1-2H3,(H,19,20,22)/b15-11-.
What are the key properties of (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 326.43 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-[2-(dimethylamino)ethylimino]-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 135524556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).