N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine

C8H12N4OS — CID 123659451

IUPACN-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine
SMILESON=CN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H12N4OS/c13-10-7-11-2-4-12(5-3-11)8-9-1-6-14-8/h1,6-7,13H,2-5H2
InChIKeyVBWWSCVYODLBFU-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.68
Rot. Bonds2

About N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine

N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine (PubChem CID 123659451) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine
PubChem CID123659451
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC NameN-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine
SMILESON=CN1CCN(c2nccs2)CC1
InChIInChI=1S/C8H12N4OS/c13-10-7-11-2-4-12(5-3-11)8-9-1-6-14-8/h1,6-7,13H,2-5H2
InChIKeyVBWWSCVYODLBFU-UHFFFAOYSA-N
XLogP0.68
TPSA51.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(Thiazol-2-yl)piperazine
CID 911806
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-thiazolyl)-
CID 3066971
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/2)
CID 21925413
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N,N-diethyl-1,3-thiazol-2-amine
CID 2530298
1-(1,3-Thiazol-2-yl)piperidine
CID 15110477
2-Thiomorpholinothiazole
CID 59156475
2-[4-(Prop-2-yn-1-yl)piperazin-1-yl]thiazole
CID 60708694
2-[4-(1,3-Thiazol-2-yl)piperazin-1-yl]propanenitrile
CID 42931497
2-[4-(2-Methylprop-2-enyl)piperazin-1-yl]-1,3-thiazole
CID 53522970
2-[4-[2-(Trifluoromethylsulfonyl)ethyl]piperazin-1-yl]-1,3-thiazole
CID 53557461
2-(3-Fluoropiperidin-1-yl)-1,3-thiazole
CID 145898296

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine?
The IUPAC name of N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine (CID 123659451) is N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine.
What is the SMILES notation for N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine?
The canonical SMILES for N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine is ON=CN1CCN(c2nccs2)CC1.
What is the InChIKey of N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine?
The InChIKey is VBWWSCVYODLBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c13-10-7-11-2-4-12(5-3-11)8-9-1-6-14-8/h1,6-7,13H,2-5H2.
What are the key properties of N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine?
N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine has a molecular weight of 212.28 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]hydroxylamine is sourced from PubChem (CID 123659451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).