N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide

C15H20N4S2 — CID 70599632

IUPACN-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide
SMILESCN1CCSC1=N/C(=N/c1ccccc1)N1CCSCC1
InChIInChI=1S/C15H20N4S2/c1-18-7-12-21-15(18)17-14(19-8-10-20-11-9-19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/b16-14-,17-15?
InChIKeyRCHHRYOCHLNYOB-VIDKQAOLSA-N
MW320.49 g/mol
LogP2.76
Rot. Bonds1

About N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide

N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide (PubChem CID 70599632) has the molecular formula C15H20N4S2 and a molecular weight of 320.49 g/mol. Its IUPAC name is N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide
PubChem CID70599632
Molecular FormulaC15H20N4S2
Molecular Weight320.49 g/mol
Exact Mass320.11
IUPAC NameN-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide
SMILESCN1CCSC1=N/C(=N/c1ccccc1)N1CCSCC1
InChIInChI=1S/C15H20N4S2/c1-18-7-12-21-15(18)17-14(19-8-10-20-11-9-19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/b16-14-,17-15?
InChIKeyRCHHRYOCHLNYOB-VIDKQAOLSA-N
XLogP2.76
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide?
The IUPAC name of N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide (CID 70599632) is N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide.
What is the SMILES notation for N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide?
The canonical SMILES for N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide is CN1CCSC1=N/C(=N/c1ccccc1)N1CCSCC1.
What is the InChIKey of N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide?
The InChIKey is RCHHRYOCHLNYOB-VIDKQAOLSA-N. The full InChI is InChI=1S/C15H20N4S2/c1-18-7-12-21-15(18)17-14(19-8-10-20-11-9-19)16-13-5-3-2-4-6-13/h2-6H,7-12H2,1H3/b16-14-,17-15?.
What are the key properties of N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide?
N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide has a molecular weight of 320.49 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,3-thiazolidin-2-ylidene)-N'-phenylthiomorpholine-4-carboximidamide is sourced from PubChem (CID 70599632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).