N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine

C7H11N3S — CID 58096412

IUPACN-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine
SMILESCc1csc(/C=N/N(C)C)n1
InChIInChI=1S/C7H11N3S/c1-6-5-11-7(9-6)4-8-10(2)3/h4-5H,1-3H3/b8-4+
InChIKeyKJJANLDUMAJPGB-XBXARRHUSA-N
MW169.25 g/mol
LogP1.35
Rot. Bonds2

About N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine

N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine (PubChem CID 58096412) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine
PubChem CID58096412
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC NameN-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine
SMILESCc1csc(/C=N/N(C)C)n1
InChIInChI=1S/C7H11N3S/c1-6-5-11-7(9-6)4-8-10(2)3/h4-5H,1-3H3/b8-4+
InChIKeyKJJANLDUMAJPGB-XBXARRHUSA-N
XLogP1.35
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine?
The IUPAC name of N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine (CID 58096412) is N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine is Cc1csc(/C=N/N(C)C)n1.
What is the InChIKey of N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine?
The InChIKey is KJJANLDUMAJPGB-XBXARRHUSA-N. The full InChI is InChI=1S/C7H11N3S/c1-6-5-11-7(9-6)4-8-10(2)3/h4-5H,1-3H3/b8-4+.
What are the key properties of N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine?
N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine has a molecular weight of 169.25 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]methanamine is sourced from PubChem (CID 58096412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).