(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one

C15H16N2O2S — CID 173294551

IUPAC(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc3c(c2)CCC(C)(C)O3)S1
InChIInChI=1S/C15H16N2O2S/c1-15(2)6-5-10-7-9(3-4-11(10)19-15)8-12-13(18)17-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18)/b12-8-
InChIKeyXVCCRWZBQNFPBD-WQLSENKSSA-N
MW288.37 g/mol
LogP2.93
Rot. Bonds1

About (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 173294551) has the molecular formula C15H16N2O2S and a molecular weight of 288.37 g/mol. Its IUPAC name is (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID173294551
Molecular FormulaC15H16N2O2S
Molecular Weight288.37 g/mol
Exact Mass288.09
IUPAC Name(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\NC(=O)/C(=C/c2ccc3c(c2)CCC(C)(C)O3)S1
InChIInChI=1S/C15H16N2O2S/c1-15(2)6-5-10-7-9(3-4-11(10)19-15)8-12-13(18)17-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18)/b12-8-
InChIKeyXVCCRWZBQNFPBD-WQLSENKSSA-N
XLogP2.93
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
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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Related Compounds

(5Z)-2-imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135634856
5-(dibenzofuran-2-ylmethylidene)-2-imino-1,3-thiazolidin-4-one
CID 140682660
2-imino-5-[(3-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 171128369
(5Z)-5-[(4-bromo-3-nitrophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 154791245
(5E)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylidene]-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
CID 137145826
(5E)-5-(2,3-dihydro-1-benzofuran-5-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 11557830
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 137244728
2-imino-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 171129571
4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]benzenesulfonic acid
CID 171127983
(5E)-2-imino-5-[[3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 154792233
[2-chloro-4-[(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]phenyl] methanesulfonate
CID 171129134
(5E)-2-imino-5-(quinolin-6-ylmethylidene)-1,3-thiazolidin-4-one
CID 168510639

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 173294551) is (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\NC(=O)/C(=C/c2ccc3c(c2)CCC(C)(C)O3)S1.
What is the InChIKey of (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is XVCCRWZBQNFPBD-WQLSENKSSA-N. The full InChI is InChI=1S/C15H16N2O2S/c1-15(2)6-5-10-7-9(3-4-11(10)19-15)8-12-13(18)17-14(16)20-12/h3-4,7-8H,5-6H2,1-2H3,(H2,16,17,18)/b12-8-.
What are the key properties of (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 288.37 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2,2-dimethyl-3,4-dihydrochromen-6-yl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 173294551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).