N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

C10H15N5O2S — CID 64511251

IUPACN-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H15N5O2S/c1-14(6-8-11-7-12-13-8)9(16)2-3-15-4-5-18-10(15)17/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyWOCVXUFAXNMWGI-UHFFFAOYSA-N
MW269.33 g/mol
LogP0.32
Rot. Bonds5

About N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide

N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (PubChem CID 64511251) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
PubChem CID64511251
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC NameN-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
SMILESCN(Cc1ncn[nH]1)C(=O)CCN1CCSC1=O
InChIInChI=1S/C10H15N5O2S/c1-14(6-8-11-7-12-13-8)9(16)2-3-15-4-5-18-10(15)17/h7H,2-6H2,1H3,(H,11,12,13)
InChIKeyWOCVXUFAXNMWGI-UHFFFAOYSA-N
XLogP0.32
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The IUPAC name of N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide (CID 64511251) is N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide.
What is the SMILES notation for N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The canonical SMILES for N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is CN(Cc1ncn[nH]1)C(=O)CCN1CCSC1=O.
What is the InChIKey of N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
The InChIKey is WOCVXUFAXNMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-14(6-8-11-7-12-13-8)9(16)2-3-15-4-5-18-10(15)17/h7H,2-6H2,1H3,(H,11,12,13).
What are the key properties of N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide?
N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide has a molecular weight of 269.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxo-1,3-thiazolidin-3-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide is sourced from PubChem (CID 64511251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).