4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C13H16N4S — CID 5346200

IUPAC4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(N/N=C/c2cccnc2)n1
InChIInChI=1S/C13H16N4S/c1-13(2,3)11-9-18-12(16-11)17-15-8-10-5-4-6-14-7-10/h4-9H,1-3H3,(H,16,17)/b15-8+
InChIKeyANLNHRCBFMOQRX-OVCLIPMQSA-N
MW260.37 g/mol
LogP3.28
Rot. Bonds3

About 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 5346200) has the molecular formula C13H16N4S and a molecular weight of 260.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID5346200
Molecular FormulaC13H16N4S
Molecular Weight260.37 g/mol
Exact Mass260.11
IUPAC Name4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCC(C)(C)c1csc(N/N=C/c2cccnc2)n1
InChIInChI=1S/C13H16N4S/c1-13(2,3)11-9-18-12(16-11)17-15-8-10-5-4-6-14-7-10/h4-9H,1-3H3,(H,16,17)/b15-8+
InChIKeyANLNHRCBFMOQRX-OVCLIPMQSA-N
XLogP3.28
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 53.28
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 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 5346200) is 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is CC(C)(C)c1csc(N/N=C/c2cccnc2)n1.
What is the InChIKey of 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ANLNHRCBFMOQRX-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H16N4S/c1-13(2,3)11-9-18-12(16-11)17-15-8-10-5-4-6-14-7-10/h4-9H,1-3H3,(H,16,17)/b15-8+.
What are the key properties of 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 260.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5346200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).