2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

C15H15N3OS2 — CID 4879304

IUPAC2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(C)C(=O)N1c1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3/b16-14-
InChIKeyMHFJPGDMYSQGCH-PEZBUJJGSA-N
MW317.44 g/mol
LogP3.45
Rot. Bonds3

About 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one

2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (PubChem CID 4879304) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
PubChem CID4879304
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one
SMILES[H]/N=C1\SC(C)C(=O)N1c1ncc(Cc2cccc(C)c2)s1
InChIInChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3/b16-14-
InChIKeyMHFJPGDMYSQGCH-PEZBUJJGSA-N
XLogP3.45
TPSA57.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one (CID 4879304) is 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is [H]/N=C1\SC(C)C(=O)N1c1ncc(Cc2cccc(C)c2)s1.
What is the InChIKey of 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is MHFJPGDMYSQGCH-PEZBUJJGSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-9-4-3-5-11(6-9)7-12-8-17-15(21-12)18-13(19)10(2)20-14(18)16/h3-6,8,10,16H,7H2,1-2H3/b16-14-.
What are the key properties of 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one?
2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 317.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-5-methyl-3-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 4879304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).