(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal

C11H15N3OS — CID 175534018

IUPAC(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
SMILESCCC=O.Cn1c(=NN)sc2ccccc21
InChIInChI=1S/C8H9N3S.C3H6O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;1-2-3-4/h2-5H,9H2,1H3;3H,2H2,1H3
InChIKeyRGGHUQHDNJCUGZ-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.61
Rot. Bonds1

About (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal

(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal (PubChem CID 175534018) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal.

Molecular Properties

Compound Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
PubChem CID175534018
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal
SMILESCCC=O.Cn1c(=NN)sc2ccccc21
InChIInChI=1S/C8H9N3S.C3H6O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;1-2-3-4/h2-5H,9H2,1H3;3H,2H2,1H3
InChIKeyRGGHUQHDNJCUGZ-UHFFFAOYSA-N
XLogP1.61
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
CID 6013283
(6-ethoxy-3-methyl-1,3-benzothiazol-2-ylidene)hydrazine
CID 54058185
2-[(3-methyl-1,3-benzothiazol-2-ylidene)hydrazinylidene]pentanedioic acid
CID 4317148
(2Z)-2-methoxysulfinylimino-3-methyl-1,3-benzothiazole
CID 5373904
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
2-(benzenesulfonyl)-N-(3-methyl-1,3-benzothiazol-2-ylidene)acetamide
CID 18573226
8-anilinonaphthalene-1-sulfonic acid;(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
CID 87929457
(2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-5-sulfonyl fluoride
CID 6167748
[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
3-[(2Z)-2-hydrazinylidene-1,3-benzothiazol-3-yl]propanehydrazide
CID 6886321
(Z)-(3-phenyl-1,3-benzothiazol-2-ylidene)hydrazine;hydrochloride
CID 56642950

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal?
The IUPAC name of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal (CID 175534018) is (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal.
What is the SMILES notation for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal?
The canonical SMILES for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal is CCC=O.Cn1c(=NN)sc2ccccc21.
What is the InChIKey of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal?
The InChIKey is RGGHUQHDNJCUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3S.C3H6O/c1-11-6-4-2-3-5-7(6)12-8(11)10-9;1-2-3-4/h2-5H,9H2,1H3;3H,2H2,1H3.
What are the key properties of (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal?
(3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal has a molecular weight of 237.33 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,3-benzothiazol-2-ylidene)hydrazine;propanal is sourced from PubChem (CID 175534018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).