1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine

C11H11N3S — CID 118066757

IUPAC1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
SMILESC#CCCN(N)c1nc2ccccc2s1
InChIInChI=1S/C11H11N3S/c1-2-3-8-14(12)11-13-9-6-4-5-7-10(9)15-11/h1,4-7H,3,8,12H2
InChIKeySUJYZOTYTFTNME-UHFFFAOYSA-N
MW217.30 g/mol
LogP2.00
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine

1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine (PubChem CID 118066757) has the molecular formula C11H11N3S and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
PubChem CID118066757
Molecular FormulaC11H11N3S
Molecular Weight217.30 g/mol
Exact Mass217.07
IUPAC Name1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine
SMILESC#CCCN(N)c1nc2ccccc2s1
InChIInChI=1S/C11H11N3S/c1-2-3-8-14(12)11-13-9-6-4-5-7-10(9)15-11/h1,4-7H,3,8,12H2
InChIKeySUJYZOTYTFTNME-UHFFFAOYSA-N
XLogP2.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[amino(1,3-benzothiazol-2-yl)amino]ethoxy]ethanol
CID 139379111
2-prop-2-ynyl-1,3-benzothiazole
CID 79818504
N-(2-chloroethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 63392267
N'-(1,3-benzothiazol-2-yl)-N'-ethylmethanediamine
CID 143176372
N'-(1,3-benzothiazol-2-yl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 107494250
methyl N-amino-N-(1,3-benzothiazol-2-yl)carbamate
CID 77174878
N-(2-cyclopropylethyl)-N-methyl-1,3-benzothiazol-2-amine
CID 133398444
N-tert-butyl-N-methyl-1,3-benzothiazol-2-amine
CID 168757730
N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-3,4-dichlorobenzenesulfonamide
CID 44622190
N-(2-aminoethyl)-N-(1,3-benzothiazol-2-yl)-4-methylbenzenesulfonamide;hydrochloride
CID 44622187
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-1,3-benzothiazol-2-amine
CID 107489824

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine (CID 118066757) is 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine is C#CCCN(N)c1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine?
The InChIKey is SUJYZOTYTFTNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3S/c1-2-3-8-14(12)11-13-9-6-4-5-7-10(9)15-11/h1,4-7H,3,8,12H2.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine?
1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine has a molecular weight of 217.30 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-1-but-3-ynylhydrazine is sourced from PubChem (CID 118066757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).