1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone

C7H12N2OS — CID 135523686

IUPAC1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone
SMILESC/N=C1/NC(C)C(C(C)=O)S1
InChIInChI=1S/C7H12N2OS/c1-4-6(5(2)10)11-7(8-3)9-4/h4,6H,1-3H3,(H,8,9)
InChIKeyFUZAYPBXDOMMLR-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.65
Rot. Bonds1

About 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone

1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone (PubChem CID 135523686) has the molecular formula C7H12N2OS and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone
PubChem CID135523686
Molecular FormulaC7H12N2OS
Molecular Weight172.25 g/mol
Exact Mass172.07
IUPAC Name1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone
SMILESC/N=C1/NC(C)C(C(C)=O)S1
InChIInChI=1S/C7H12N2OS/c1-4-6(5(2)10)11-7(8-3)9-4/h4,6H,1-3H3,(H,8,9)
InChIKeyFUZAYPBXDOMMLR-UHFFFAOYSA-N
XLogP0.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methylimino-1,3-thiazolidin-4-yl)propan-2-one
CID 152608854
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)butanamide
CID 116306352
3-[(4-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butanamide
CID 116306355
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)ethanone
CID 135410181
3-(Diethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135410249
1-(2-Ethylimino-4-methyl-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135460743
3-(Diethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
CID 135503555
3-(Dimethylamino)-1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)propan-1-one
CID 135504658
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 135508590
1-(4-Methyl-2-methylimino-1,3-thiazolidin-5-yl)-3-piperidin-1-ylpropan-1-one
CID 135511327
3-(Dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
CID 135523691
3-[(4-Methyl-1,3-thiazolidin-2-ylidene)amino]propanamide
CID 135938400

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone (CID 135523686) is 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone is C/N=C1/NC(C)C(C(C)=O)S1.
What is the InChIKey of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone?
The InChIKey is FUZAYPBXDOMMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS/c1-4-6(5(2)10)11-7(8-3)9-4/h4,6H,1-3H3,(H,8,9).
What are the key properties of 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone?
1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone has a molecular weight of 172.25 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-methylimino-1,3-thiazolidin-5-yl)ethanone is sourced from PubChem (CID 135523686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).