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

C5H6N2OS — CID 136739066

IUPACN-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
SMILESCc1csc(C=NO)n1
InChIInChI=1S/C5H6N2OS/c1-4-3-9-5(7-4)2-6-8/h2-3,8H,1H3
InChIKeyBZTZJWRPKGOMKQ-UHFFFAOYSA-N
MW142.18 g/mol
LogP1.26
Rot. Bonds1

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

N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine (PubChem CID 136739066) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
PubChem CID136739066
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC NameN-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine
SMILESCc1csc(C=NO)n1
InChIInChI=1S/C5H6N2OS/c1-4-3-9-5(7-4)2-6-8/h2-3,8H,1H3
InChIKeyBZTZJWRPKGOMKQ-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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Related Compounds

[(E)-(4-methyl-1,3-thiazol-2-yl)methylideneamino]thiourea
CID 119093932
2-[(4-methyl-1,3-thiazol-2-yl)methylideneamino]oxyacetic acid
CID 104771692
N-[(2-methyl-1,3-thiazol-4-yl)methylidene]hydroxylamine
CID 76872323
(E)-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 55266811
(NE)-N-[[4-(cyclobutylmethyl)-1,3-thiazol-2-yl]methylidene]hydroxylamine
CID 137152368
N-[1-(4-methyl-1,3-thiazol-2-yl)ethylidene]hydroxylamine
CID 137186649
(E)-4-(4-methyl-1,3-thiazol-2-yl)but-3-en-1-amine
CID 104771695
(E)-N-tert-butyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 102230769
2-methyl-3-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylprop-2-en-1-amine
CID 104772211
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propylbutan-1-amine
CID 104772187
2-[(4-methyl-1,3-thiazol-2-yl)methylidene]-N-propan-2-ylbutan-1-amine
CID 104772188
N-[2-methyl-3-(4-methyl-1,3-thiazol-2-yl)prop-2-enyl]cyclopropanamine
CID 104772212

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine (CID 136739066) is N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine is Cc1csc(C=NO)n1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine?
The InChIKey is BZTZJWRPKGOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-4-3-9-5(7-4)2-6-8/h2-3,8H,1H3.
What are the key properties of N-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine?
N-[(4-methyl-1,3-thiazol-2-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-[(4-methyl-1,3-thiazol-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 136739066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).