N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide

C5H10N4S — CID 166854579

IUPACN-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide
SMILESC/N=C/N=C1\SCCN1N
InChIInChI=1S/C5H10N4S/c1-7-4-8-5-9(6)2-3-10-5/h4H,2-3,6H2,1H3/b7-4+,8-5-
InChIKeyWITVCLKZUSXUIL-NIQPXEJBSA-N
MW158.23 g/mol
LogP-0.08
Rot. Bonds1

About N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide

N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide (PubChem CID 166854579) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide
PubChem CID166854579
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC NameN-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide
SMILESC/N=C/N=C1\SCCN1N
InChIInChI=1S/C5H10N4S/c1-7-4-8-5-9(6)2-3-10-5/h4H,2-3,6H2,1H3/b7-4+,8-5-
InChIKeyWITVCLKZUSXUIL-NIQPXEJBSA-N
XLogP-0.08
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide?
The IUPAC name of N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide (CID 166854579) is N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide.
What is the SMILES notation for N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide?
The canonical SMILES for N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide is C/N=C/N=C1\SCCN1N.
What is the InChIKey of N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide?
The InChIKey is WITVCLKZUSXUIL-NIQPXEJBSA-N. The full InChI is InChI=1S/C5H10N4S/c1-7-4-8-5-9(6)2-3-10-5/h4H,2-3,6H2,1H3/b7-4+,8-5-.
What are the key properties of N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide?
N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide has a molecular weight of 158.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1,3-thiazolidin-2-ylidene)-N'-methylmethanimidamide is sourced from PubChem (CID 166854579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).