N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide

C16H15N5O4S — CID 136827036

IUPACN'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide
SMILESC[C@@H](/N=C1\NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C16H15N5O4S/c1-10(15(22)19-20-16(23)12-7-4-5-9-17-12)18-14-11-6-2-3-8-13(11)26(24,25)21-14/h2-10H,1H3,(H,18,21)(H,19,22)(H,20,23)/t10-/m1/s1
InChIKeySVGIKCOJQWGRGK-SNVBAGLBSA-N
MW373.39 g/mol
LogP-0.03
Rot. Bonds3

About N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide

N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide (PubChem CID 136827036) has the molecular formula C16H15N5O4S and a molecular weight of 373.39 g/mol. Its IUPAC name is N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide
PubChem CID136827036
Molecular FormulaC16H15N5O4S
Molecular Weight373.39 g/mol
Exact Mass373.08
IUPAC NameN'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide
SMILESC[C@@H](/N=C1\NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccccn1
InChIInChI=1S/C16H15N5O4S/c1-10(15(22)19-20-16(23)12-7-4-5-9-17-12)18-14-11-6-2-3-8-13(11)26(24,25)21-14/h2-10H,1H3,(H,18,21)(H,19,22)(H,20,23)/t10-/m1/s1
InChIKeySVGIKCOJQWGRGK-SNVBAGLBSA-N
XLogP-0.03
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 136701510
N-[(2S)-1-aminopropan-2-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 137024784
(2S)-N-[2-(4-chlorophenoxy)ethyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 135800332
(2S)-N-[(3-chlorophenyl)methyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanamide
CID 135749974
(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-3-methyl-N-propan-2-ylbutanamide
CID 135925775
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 135625180
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(6-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 135899707
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(4-methylpiperidin-3-yl)propanamide;hydrochloride
CID 137168841
(3,4-dichlorophenyl)methyl (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135582697
[(2R)-1-amino-1-oxopropan-2-yl] (2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoate
CID 135597873
2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(3-methylpiperidin-4-yl)propanamide
CID 137100230
(2S)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 135949318

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide (CID 136827036) is N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide is C[C@@H](/N=C1\NS(=O)(=O)c2ccccc21)C(=O)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide?
The InChIKey is SVGIKCOJQWGRGK-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15N5O4S/c1-10(15(22)19-20-16(23)12-7-4-5-9-17-12)18-14-11-6-2-3-8-13(11)26(24,25)21-14/h2-10H,1H3,(H,18,21)(H,19,22)(H,20,23)/t10-/m1/s1.
What are the key properties of N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide?
N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide has a molecular weight of 373.39 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[(1,1-dioxo-1,2-benzothiazol-3-ylidene)amino]propanoyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 136827036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).