(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C19H19N3OS — CID 70694819

IUPAC(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccccn2)S/C1=N/c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14(2)13-22-18(23)17(12-16-10-6-7-11-20-16)24-19(22)21-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3/b17-12-,21-19+
InChIKeyRBBVCVVOBZHELD-HATACVMWSA-N
MW337.45 g/mol
LogP4.34
Rot. Bonds4

About (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 70694819) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID70694819
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)CN1C(=O)/C(=C/c2ccccn2)S/C1=N/c1ccccc1
InChIInChI=1S/C19H19N3OS/c1-14(2)13-22-18(23)17(12-16-10-6-7-11-20-16)24-19(22)21-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3/b17-12-,21-19+
InChIKeyRBBVCVVOBZHELD-HATACVMWSA-N
XLogP4.34
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 70694819) is (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)CN1C(=O)/C(=C/c2ccccn2)S/C1=N/c1ccccc1.
What is the InChIKey of (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is RBBVCVVOBZHELD-HATACVMWSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-14(2)13-22-18(23)17(12-16-10-6-7-11-20-16)24-19(22)21-15-8-4-3-5-9-15/h3-12,14H,13H2,1-2H3/b17-12-,21-19+.
What are the key properties of (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one?
(5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 337.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(2-methylpropyl)-2-phenylimino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 70694819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).