[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine

C12H12N4OS — CID 116970222

IUPAC[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCc1nc2ccc(-c3csc(CNN)n3)cc2o1
InChIInChI=1S/C12H12N4OS/c1-7-15-9-3-2-8(4-11(9)17-7)10-6-18-12(16-10)5-14-13/h2-4,6,14H,5,13H2,1H3
InChIKeyWHFFPNGFBYONGX-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.22
Rot. Bonds3

About [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine

[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine (PubChem CID 116970222) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine.

Molecular Properties

Compound Name[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
PubChem CID116970222
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine
SMILESCc1nc2ccc(-c3csc(CNN)n3)cc2o1
InChIInChI=1S/C12H12N4OS/c1-7-15-9-3-2-8(4-11(9)17-7)10-6-18-12(16-10)5-14-13/h2-4,6,14H,5,13H2,1H3
InChIKeyWHFFPNGFBYONGX-UHFFFAOYSA-N
XLogP2.22
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[2-(bromomethyl)-1,3-thiazol-4-yl]-2-methyl-1,3-benzoxazole
CID 116970349
[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970172
2-[4-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968865
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]methylhydrazine
CID 116970173
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
N-(hydrazinylmethyl)-2-methyl-1,3-benzoxazol-6-amine
CID 115260505
[4-(2-methylphenyl)-1,3-thiazol-2-yl]methylhydrazine
CID 53275090
N-methyl-2-[4-(2-methyl-1,3-benzoxazol-6-yl)pyrimidin-2-yl]ethanamine
CID 116897785
4-(2-methyl-1,3-benzoxazol-6-yl)-3H-1,3-thiazol-2-one
CID 116966109
N-methyl-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]methanamine
CID 4660258
6-(2-chloropyrimidin-4-yl)-2-methyl-1,3-benzoxazole
CID 116904381
[2-(2-methyl-1,3-benzoxazol-5-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892127

Frequently Asked Questions

What is the IUPAC name of [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The IUPAC name of [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine (CID 116970222) is [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine.
What is the SMILES notation for [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The canonical SMILES for [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine is Cc1nc2ccc(-c3csc(CNN)n3)cc2o1.
What is the InChIKey of [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
The InChIKey is WHFFPNGFBYONGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c1-7-15-9-3-2-8(4-11(9)17-7)10-6-18-12(16-10)5-14-13/h2-4,6,14H,5,13H2,1H3.
What are the key properties of [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine?
[4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine has a molecular weight of 260.32 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methyl-1,3-benzoxazol-6-yl)-1,3-thiazol-2-yl]methylhydrazine is sourced from PubChem (CID 116970222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).