N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine

C10H8N4O2S — CID 5349991

IUPACN-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=N\Nc1nccs1
InChIInChI=1S/C10H8N4O2S/c15-14(16)9-4-2-1-3-8(9)7-12-13-10-11-5-6-17-10/h1-7H,(H,11,13)/b12-7-
InChIKeyZQBDDCZJHGZECJ-GHXNOFRVSA-N
MW248.27 g/mol
LogP2.50
Rot. Bonds4

About N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine

N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine (PubChem CID 5349991) has the molecular formula C10H8N4O2S and a molecular weight of 248.27 g/mol. Its IUPAC name is N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
PubChem CID5349991
Molecular FormulaC10H8N4O2S
Molecular Weight248.27 g/mol
Exact Mass248.04
IUPAC NameN-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine
SMILESO=[N+]([O-])c1ccccc1/C=N\Nc1nccs1
InChIInChI=1S/C10H8N4O2S/c15-14(16)9-4-2-1-3-8(9)7-12-13-10-11-5-6-17-10/h1-7H,(H,11,13)/b12-7-
InChIKeyZQBDDCZJHGZECJ-GHXNOFRVSA-N
XLogP2.50
TPSA80.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Related Compounds

Thiourea, N-(2-(2-nitrophenyl)ethyl)-N'-2-thiazolyl-
CID 3001169
5-[(3-Nitrophenyl)methyl]-1,3-thiazol-2-amine
CID 691969
N3-(3-Nitrobenzylidene)-2-phenyl-N4-(thiazol-2-yl)-quinazoline-3,4-(4H)-diamine (7b)
CID 126842756
N-(4-Methyl-thiazol-2-yl)-N'-(4-nitro-benzylidene)-hydrazine
CID 9582639
4-(4-nitrophenyl)-N-[(Z)-1-(1,3-thiazol-2-yl)ethylideneamino]-1,3-thiazol-2-amine
CID 71449394
4-(4-nitrophenyl)-N-[(Z)-1-pyridin-4-ylethylideneamino]-1,3-thiazol-2-amine
CID 71456517
4-(4-nitrophenyl)-N-[(Z)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 71460212
4-(3-nitrophenyl)-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-thiazol-2-amine
CID 118712448
Nicotinaldehyde (4-{4-nitrophenyl}-1,3-thiazol-2-yl)hydrazone
CID 9693076
2-[(E)-{2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]hydrazinylidene}methyl]pyridine
CID 9665407
2-Butenal (4-{4-nitrophenyl}-1,3-thiazol-2-yl)hydrazone
CID 1745106
2-Pyridinecarbaldehyde (4-{3-nitrophenyl}-1,3-thiazol-2-yl)hydrazone
CID 5710398

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine (CID 5349991) is N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine is O=[N+]([O-])c1ccccc1/C=N\Nc1nccs1.
What is the InChIKey of N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ZQBDDCZJHGZECJ-GHXNOFRVSA-N. The full InChI is InChI=1S/C10H8N4O2S/c15-14(16)9-4-2-1-3-8(9)7-12-13-10-11-5-6-17-10/h1-7H,(H,11,13)/b12-7-.
What are the key properties of N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine?
N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 248.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-nitrophenyl)methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 5349991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).