4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine

C14H11N5O2S2 — CID 71449394

IUPAC4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1
InChIInChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-8H,1H3,(H,16,18)/b17-9-
InChIKeyQHJLUYNLVVWRRH-MFOYZWKCSA-N
MW345.41 g/mol
LogP4.01
Rot. Bonds5

About 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine

4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine (PubChem CID 71449394) has the molecular formula C14H11N5O2S2 and a molecular weight of 345.41 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
PubChem CID71449394
Molecular FormulaC14H11N5O2S2
Molecular Weight345.41 g/mol
Exact Mass345.04
IUPAC Name4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1
InChIInChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-8H,1H3,(H,16,18)/b17-9-
InChIKeyQHJLUYNLVVWRRH-MFOYZWKCSA-N
XLogP4.01
TPSA93.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine (CID 71449394) is 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine is C/C(=N/Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)c1nccs1.
What is the InChIKey of 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is QHJLUYNLVVWRRH-MFOYZWKCSA-N. The full InChI is InChI=1S/C14H11N5O2S2/c1-9(13-15-6-7-22-13)17-18-14-16-12(8-23-14)10-2-4-11(5-3-10)19(20)21/h2-8H,1H3,(H,16,18)/b17-9-.
What are the key properties of 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine?
4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 345.41 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 71449394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).