N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide

C15H21N3OS — CID 136817717

IUPACN,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C15H21N3OS/c1-15(2,13(19)16-3)10-17-14-18-12(9-20-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYILKMTMVIHVMGD-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.19
Rot. Bonds4

About N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide

N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide (PubChem CID 136817717) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
PubChem CID136817717
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC NameN,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide
SMILESCNC(=O)C(C)(C)C/N=C1/NC(c2ccccc2)CS1
InChIInChI=1S/C15H21N3OS/c1-15(2,13(19)16-3)10-17-14-18-12(9-20-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYILKMTMVIHVMGD-UHFFFAOYSA-N
XLogP2.19
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The IUPAC name of N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide (CID 136817717) is N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The canonical SMILES for N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide is CNC(=O)C(C)(C)C/N=C1/NC(c2ccccc2)CS1.
What is the InChIKey of N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
The InChIKey is YILKMTMVIHVMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-15(2,13(19)16-3)10-17-14-18-12(9-20-14)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide?
N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide has a molecular weight of 291.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[(4-phenyl-1,3-thiazolidin-2-ylidene)amino]propanamide is sourced from PubChem (CID 136817717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).