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

C5H6N2OS — CID 76872323

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
SMILESCc1nc(C=NO)cs1
InChIInChI=1S/C5H6N2OS/c1-4-7-5(2-6-8)3-9-4/h2-3,8H,1H3
InChIKeyBHCNPPAIIWRLAH-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.26
Rot. Bonds1

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

N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine (PubChem CID 76872323) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
PubChem CID76872323
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
SMILESCc1nc(C=NO)cs1
InChIInChI=1S/C5H6N2OS/c1-4-7-5(2-6-8)3-9-4/h2-3,8H,1H3
InChIKeyBHCNPPAIIWRLAH-UHFFFAOYSA-N
XLogP1.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine (CID 76872323) is N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine is Cc1nc(C=NO)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine?
The InChIKey is BHCNPPAIIWRLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-4-7-5(2-6-8)3-9-4/h2-3,8H,1H3.
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine?
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine has a molecular weight of 142.18 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine is sourced from PubChem (CID 76872323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).