1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea

C14H19N3OS — CID 54529047

IUPAC1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
SMILESCCN1CCSC1=NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H19N3OS/c1-4-17-8-9-19-14(17)16-13(18)15-12-10(2)6-5-7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyYVEKQEJBQNGADK-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.26
Rot. Bonds2

About 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea

1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea (PubChem CID 54529047) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
PubChem CID54529047
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea
SMILESCCN1CCSC1=NC(=O)Nc1c(C)cccc1C
InChIInChI=1S/C14H19N3OS/c1-4-17-8-9-19-14(17)16-13(18)15-12-10(2)6-5-7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,18)
InChIKeyYVEKQEJBQNGADK-UHFFFAOYSA-N
XLogP3.26
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)-4-methyl-2-phenylimino-1,3-thiazinane-3-carboxamide
CID 14709284
1-(1,3-dimethyl-4-oxoimidazolidin-2-ylidene)-3-(2,6-dimethylphenyl)urea
CID 54230876
[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl] 2-(2-oxo-1,3-thiazolidin-3-yl)acetate
CID 9003620
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N-(2,3-dimethylphenyl)-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 9069845
(2R)-N-(2,6-dimethylphenyl)-1-ethylpiperidine-2-carboxamide
CID 71421475
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
2-(butan-2-ylamino)-N-(2,6-dimethylphenyl)acetamide
CID 21430532
4-acetyl-N-(2,6-dimethylphenyl)piperazine-1-carbothioamide
CID 23962507
1-[bis(dimethylamino)methylidene]-3-(2,6-dimethylphenyl)urea
CID 3050627
(2E)-N-(2,6-dimethylphenyl)-2-hydroxyiminopropanamide
CID 176944148
(Z)-N-(2,6-dimethylphenyl)-3-hydroxybut-2-enamide
CID 139239578

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea (CID 54529047) is 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea is CCN1CCSC1=NC(=O)Nc1c(C)cccc1C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea?
The InChIKey is YVEKQEJBQNGADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-17-8-9-19-14(17)16-13(18)15-12-10(2)6-5-7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H,15,18).
What are the key properties of 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea?
1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea has a molecular weight of 277.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(3-ethyl-1,3-thiazolidin-2-ylidene)urea is sourced from PubChem (CID 54529047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).