N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide

C21H26N4O2S — CID 154800171

IUPACN-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\CCc2ccccn2)N(CC=CC2CC2)C1=O)NC1CC1
InChIInChI=1S/C21H26N4O2S/c26-19(24-17-8-9-17)14-18-20(27)25(13-3-4-15-6-7-15)21(28-18)23-12-10-16-5-1-2-11-22-16/h1-5,11,15,17-18H,6-10,12-14H2,(H,24,26)/b4-3?,23-21-
InChIKeyJWIILJPFAAJNMT-UZSQOZDOSA-N
MW398.53 g/mol
LogP2.56
Rot. Bonds9

About N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide

N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 154800171) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide
PubChem CID154800171
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC NameN-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide
SMILESO=C(CC1S/C(=N\CCc2ccccn2)N(CC=CC2CC2)C1=O)NC1CC1
InChIInChI=1S/C21H26N4O2S/c26-19(24-17-8-9-17)14-18-20(27)25(13-3-4-15-6-7-15)21(28-18)23-12-10-16-5-1-2-11-22-16/h1-5,11,15,17-18H,6-10,12-14H2,(H,24,26)/b4-3?,23-21-
InChIKeyJWIILJPFAAJNMT-UZSQOZDOSA-N
XLogP2.56
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 78980134
N-cycloheptyl-3-pyridin-2-ylpropanamide
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N-cyclohexyl-2-[(5R)-3-methyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 1203904
2-[3-[[4-[4-(2-amino-2-oxoethoxy)phenyl]phenyl]methyl]-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]-N-(3-chloro-4-fluorophenyl)acetamide;2,2,2-trifluoroacetic acid
CID 167751983
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CID 4072021
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2-(cyclopropylmethylamino)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]acetamide
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N-(2-chlorophenyl)-2-[(5R)-2-naphthalen-1-ylimino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 2401688
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(5R)-2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
CID 2479110

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide (CID 154800171) is N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide is O=C(CC1S/C(=N\CCc2ccccn2)N(CC=CC2CC2)C1=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide?
The InChIKey is JWIILJPFAAJNMT-UZSQOZDOSA-N. The full InChI is InChI=1S/C21H26N4O2S/c26-19(24-17-8-9-17)14-18-20(27)25(13-3-4-15-6-7-15)21(28-18)23-12-10-16-5-1-2-11-22-16/h1-5,11,15,17-18H,6-10,12-14H2,(H,24,26)/b4-3?,23-21-.
What are the key properties of N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide?
N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 2.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[3-(3-cyclopropylprop-2-enyl)-4-oxo-2-(2-pyridin-2-ylethylimino)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 154800171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).