N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

C14H12N4S2 — CID 46204127

IUPACN-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2cccs2)cs1)c1ccccn1
InChIInChI=1S/C14H12N4S2/c1-10(11-5-2-3-7-15-11)17-18-14-16-12(9-20-14)13-6-4-8-19-13/h2-9H,1H3,(H,16,18)/b17-10+
InChIKeyQOMOHYGMLZQJCR-LICLKQGHSA-N
MW300.41 g/mol
LogP4.10
Rot. Bonds4

About N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine

N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (PubChem CID 46204127) has the molecular formula C14H12N4S2 and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
PubChem CID46204127
Molecular FormulaC14H12N4S2
Molecular Weight300.41 g/mol
Exact Mass300.05
IUPAC NameN-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2cccs2)cs1)c1ccccn1
InChIInChI=1S/C14H12N4S2/c1-10(11-5-2-3-7-15-11)17-18-14-16-12(9-20-14)13-6-4-8-19-13/h2-9H,1H3,(H,16,18)/b17-10+
InChIKeyQOMOHYGMLZQJCR-LICLKQGHSA-N
XLogP4.10
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine (CID 46204127) is N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2cccs2)cs1)c1ccccn1.
What is the InChIKey of N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
The InChIKey is QOMOHYGMLZQJCR-LICLKQGHSA-N. The full InChI is InChI=1S/C14H12N4S2/c1-10(11-5-2-3-7-15-11)17-18-14-16-12(9-20-14)13-6-4-8-19-13/h2-9H,1H3,(H,16,18)/b17-10+.
What are the key properties of N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine?
N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine has a molecular weight of 300.41 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-pyridin-2-ylethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 46204127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).