3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one

C11H21N3OS — CID 135523691

IUPAC3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN(C)C)S1
InChIInChI=1S/C11H21N3OS/c1-5-12-11-13-8(2)10(16-11)9(15)6-7-14(3)4/h8,10H,5-7H2,1-4H3,(H,12,13)
InChIKeyLAYDQSSMPYGCGX-UHFFFAOYSA-N
MW243.38 g/mol
LogP0.98
Rot. Bonds5

About 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one

3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one (PubChem CID 135523691) has the molecular formula C11H21N3OS and a molecular weight of 243.38 g/mol. Its IUPAC name is 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
PubChem CID135523691
Molecular FormulaC11H21N3OS
Molecular Weight243.38 g/mol
Exact Mass243.14
IUPAC Name3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one
SMILESCC/N=C1/NC(C)C(C(=O)CCN(C)C)S1
InChIInChI=1S/C11H21N3OS/c1-5-12-11-13-8(2)10(16-11)9(15)6-7-14(3)4/h8,10H,5-7H2,1-4H3,(H,12,13)
InChIKeyLAYDQSSMPYGCGX-UHFFFAOYSA-N
XLogP0.98
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(dimethylamino)propan-1-one
CID 9990860
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 10060265
1-(2-Amino-4-methyl-4,5-dihydro-1,3-thiazol-5-yl)-3-(diethylamino)propan-1-one
CID 10105847
3-[(5-Propyl-4,5-dihydro-1,3-thiazol-2-yl)amino]butanamide
CID 116306356
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

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The IUPAC name of 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one (CID 135523691) is 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The canonical SMILES for 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one is CC/N=C1/NC(C)C(C(=O)CCN(C)C)S1.
What is the InChIKey of 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
The InChIKey is LAYDQSSMPYGCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3OS/c1-5-12-11-13-8(2)10(16-11)9(15)6-7-14(3)4/h8,10H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one?
3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one has a molecular weight of 243.38 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-(2-ethylimino-4-methyl-1,3-thiazolidin-5-yl)propan-1-one is sourced from PubChem (CID 135523691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).