2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C13H11N3O2S2 — CID 1213087

IUPAC2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-6-20-13(15-10)16-11(17)7-19-12(16)14/h2-6,14H,7H2,1H3/b14-12-
InChIKeyVRESTROMRYKCCC-OWBHPGMISA-N
MW305.38 g/mol
LogP2.83
Rot. Bonds3

About 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 1213087) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID1213087
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC Name2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SCC(=O)N1c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-6-20-13(15-10)16-11(17)7-19-12(16)14/h2-6,14H,7H2,1H3/b14-12-
InChIKeyVRESTROMRYKCCC-OWBHPGMISA-N
XLogP2.83
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 1213087) is 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is [H]/N=C1\SCC(=O)N1c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is VRESTROMRYKCCC-OWBHPGMISA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-6-20-13(15-10)16-11(17)7-19-12(16)14/h2-6,14H,7H2,1H3/b14-12-.
What are the key properties of 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 1213087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).