3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide

C7H13N3OS — CID 135938400

IUPAC3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide
SMILESCC1CS/C(=N\CCC(N)=O)N1
InChIInChI=1S/C7H13N3OS/c1-5-4-12-7(10-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyIJAFGKWWYUFFCC-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.06
Rot. Bonds3

About 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide

3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide (PubChem CID 135938400) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide.

Molecular Properties

Compound Name3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide
PubChem CID135938400
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide
SMILESCC1CS/C(=N\CCC(N)=O)N1
InChIInChI=1S/C7H13N3OS/c1-5-4-12-7(10-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10)
InChIKeyIJAFGKWWYUFFCC-UHFFFAOYSA-N
XLogP-0.06
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Propan-2-ylimino-1,3-thiazolidin-4-one
CID 136461888
N-(4-ethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70250663
N-(4,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 70323320
2-Propylimino-1,3-thiazolidin-4-one
CID 136461889
1-(2-Methylimino-1,3-thiazolidin-4-yl)propan-2-one
CID 152608854
2-[(4-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 43545734
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 43553822
3-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)propanamide
CID 43553826
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanamide
CID 43553827
N-butan-2-yl-3-(4,5-dihydro-1,3-thiazol-2-ylamino)propanamide
CID 61861266
N-butan-2-yl-3-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 61861471
3-(4,5-dihydro-1,3-thiazol-2-ylamino)-N-methylpropanamide
CID 61861679

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The IUPAC name of 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide (CID 135938400) is 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide.
What is the SMILES notation for 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The canonical SMILES for 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide is CC1CS/C(=N\CCC(N)=O)N1.
What is the InChIKey of 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The InChIKey is IJAFGKWWYUFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5-4-12-7(10-5)9-3-2-6(8)11/h5H,2-4H2,1H3,(H2,8,11)(H,9,10).
What are the key properties of 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide has a molecular weight of 187.27 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]propanamide is sourced from PubChem (CID 135938400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).