N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide

C15H15N3O2S — CID 723077

IUPACN'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide
SMILESO=C(NN(C(=O)C1CC1)c1nc2ccccc2s1)C1CC1
InChIInChI=1S/C15H15N3O2S/c19-13(9-5-6-9)17-18(14(20)10-7-8-10)15-16-11-3-1-2-4-12(11)21-15/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyDZOKGMPKKZAOMT-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.48
Rot. Bonds3

About N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide

N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide (PubChem CID 723077) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide.

Molecular Properties

Compound NameN'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide
PubChem CID723077
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide
SMILESO=C(NN(C(=O)C1CC1)c1nc2ccccc2s1)C1CC1
InChIInChI=1S/C15H15N3O2S/c19-13(9-5-6-9)17-18(14(20)10-7-8-10)15-16-11-3-1-2-4-12(11)21-15/h1-4,9-10H,5-8H2,(H,17,19)
InChIKeyDZOKGMPKKZAOMT-UHFFFAOYSA-N
XLogP2.48
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide?
The IUPAC name of N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide (CID 723077) is N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide.
What is the SMILES notation for N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide?
The canonical SMILES for N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide is O=C(NN(C(=O)C1CC1)c1nc2ccccc2s1)C1CC1.
What is the InChIKey of N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide?
The InChIKey is DZOKGMPKKZAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c19-13(9-5-6-9)17-18(14(20)10-7-8-10)15-16-11-3-1-2-4-12(11)21-15/h1-4,9-10H,5-8H2,(H,17,19).
What are the key properties of N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide?
N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide has a molecular weight of 301.37 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-benzothiazol-2-yl)-N'-(cyclopropanecarbonyl)cyclopropanecarbohydrazide is sourced from PubChem (CID 723077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).