N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

C14H15N3O2S — CID 135795117

IUPACN-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NC1CC1
InChIInChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19)/t11-/m1/s1
InChIKeyLNODMCWZZCWRKU-LLVKDONJSA-N
MW289.36 g/mol
LogP1.57
Rot. Bonds4

About N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide

N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 135795117) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
PubChem CID135795117
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NC1CC1
InChIInChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19)/t11-/m1/s1
InChIKeyLNODMCWZZCWRKU-LLVKDONJSA-N
XLogP1.57
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5S)-2-benzylimino-4-oxo-1,3-thiazolidin-5-yl]-N-cyclopropylacetamide
CID 135837036
N-(2-aminophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135989803
N-(4-chlorophenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135462150
4-[[2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetyl]amino]benzoic acid
CID 135703936
N-(2-chlorophenyl)-2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135748169
N-cyclopropyl-2-[(2S)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide
CID 9165627
N-(2-nitrophenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135816473
N-(4-ethoxyphenyl)-2-(4-oxo-2-phenylimino-1,3-thiazolidin-5-yl)acetamide
CID 135456969
5-ethyl-2-phenylimino-1,3-thiazolidin-4-one
CID 135523619
2-[(5S)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]-N-(2-propoxyphenyl)acetamide
CID 135705652
N-(4-butoxyphenyl)-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 135764192
2-[(5S)-2-(4-ethoxyphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-phenylacetamide
CID 135761147

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide (CID 135795117) is N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is O=C(C[C@H]1S/C(=N/c2ccccc2)NC1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is LNODMCWZZCWRKU-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O2S/c18-12(15-10-6-7-10)8-11-13(19)17-14(20-11)16-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,15,18)(H,16,17,19)/t11-/m1/s1.
What are the key properties of N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide?
N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 289.36 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(5R)-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 135795117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).