N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide

C9H15N3OS — CID 135901138

IUPACN-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCC1CS/C(=N\CC(=O)NC2CC2)N1
InChIInChI=1S/C9H15N3OS/c1-6-5-14-9(11-6)10-4-8(13)12-7-2-3-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMJMFMMBBJLYDAT-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.35
Rot. Bonds3

About N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide

N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide (PubChem CID 135901138) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
PubChem CID135901138
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide
SMILESCC1CS/C(=N\CC(=O)NC2CC2)N1
InChIInChI=1S/C9H15N3OS/c1-6-5-14-9(11-6)10-4-8(13)12-7-2-3-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)
InChIKeyMJMFMMBBJLYDAT-UHFFFAOYSA-N
XLogP0.35
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.35
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-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide (CID 135901138) is N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide is CC1CS/C(=N\CC(=O)NC2CC2)N1.
What is the InChIKey of N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide?
The InChIKey is MJMFMMBBJLYDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-6-5-14-9(11-6)10-4-8(13)12-7-2-3-7/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide?
N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide has a molecular weight of 213.31 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(4-methyl-1,3-thiazolidin-2-ylidene)amino]acetamide is sourced from PubChem (CID 135901138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).