N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C9H8N4S — CID 6270136

IUPACN-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N\Nc1nccs1)\c1cccnc1
InChIInChI=1S/C9H8N4S/c1-2-8(6-10-3-1)7-12-13-9-11-4-5-14-9/h1-7H,(H,11,13)/b12-7-
InChIKeyCFXNYKMXCRGETH-GHXNOFRVSA-N
MW204.26 g/mol
LogP1.98
Rot. Bonds3

About N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 6270136) has the molecular formula C9H8N4S and a molecular weight of 204.26 g/mol. Its IUPAC name is N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID6270136
Molecular FormulaC9H8N4S
Molecular Weight204.26 g/mol
Exact Mass204.05
IUPAC NameN-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESC(=N\Nc1nccs1)\c1cccnc1
InChIInChI=1S/C9H8N4S/c1-2-8(6-10-3-1)7-12-13-9-11-4-5-14-9/h1-7H,(H,11,13)/b12-7-
InChIKeyCFXNYKMXCRGETH-GHXNOFRVSA-N
XLogP1.98
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 6270136) is N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is C(=N\Nc1nccs1)\c1cccnc1.
What is the InChIKey of N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CFXNYKMXCRGETH-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H8N4S/c1-2-8(6-10-3-1)7-12-13-9-11-4-5-14-9/h1-7H,(H,11,13)/b12-7-.
What are the key properties of N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 204.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 6270136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).