2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide

C8H15N3OS — CID 136871645

IUPAC2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCC(C)C1CS/C(=N\CC(N)=O)N1
InChIInChI=1S/C8H15N3OS/c1-5(2)6-4-13-8(11-6)10-3-7(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyZYVBNLOITFJMOF-UHFFFAOYSA-N
MW201.29 g/mol
LogP0.19
Rot. Bonds3

About 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide

2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide (PubChem CID 136871645) has the molecular formula C8H15N3OS and a molecular weight of 201.29 g/mol. Its IUPAC name is 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
PubChem CID136871645
Molecular FormulaC8H15N3OS
Molecular Weight201.29 g/mol
Exact Mass201.09
IUPAC Name2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCC(C)C1CS/C(=N\CC(N)=O)N1
InChIInChI=1S/C8H15N3OS/c1-5(2)6-4-13-8(11-6)10-3-7(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,10,11)
InChIKeyZYVBNLOITFJMOF-UHFFFAOYSA-N
XLogP0.19
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 50.19
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

N-ethyl-N-methyl-2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide
CID 136666952
ethyl 3-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]propanoate
CID 136871756
N-[(2-methylcyclohexyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136938506
4-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]butanamide
CID 136848096
N-(2-methylsulfinylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871888
N-propan-2-yl-N-[2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]ethyl]propan-2-amine
CID 136871648
N-propan-2-yl-2-[(4-propan-2-yl-1,3-thiazinan-2-ylidene)amino]acetamide
CID 136993329
N-(2-ethoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871885
(4S)-N-(3-butoxypropyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136949409
N-[(1-methylsulfanylcyclobutyl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136762665
N-[(5-chlorothiophen-2-yl)methyl]-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871812
N-(2-morpholin-4-ylethyl)-4-propan-2-yl-1,3-thiazolidin-2-imine
CID 136871672

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The IUPAC name of 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide (CID 136871645) is 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide.
What is the SMILES notation for 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The canonical SMILES for 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide is CC(C)C1CS/C(=N\CC(N)=O)N1.
What is the InChIKey of 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The InChIKey is ZYVBNLOITFJMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3OS/c1-5(2)6-4-13-8(11-6)10-3-7(9)12/h5-6H,3-4H2,1-2H3,(H2,9,12)(H,10,11).
What are the key properties of 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide?
2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide has a molecular weight of 201.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yl-1,3-thiazolidin-2-ylidene)amino]acetamide is sourced from PubChem (CID 136871645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).