N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide

C19H17N3O2S2 — CID 8956006

IUPACN'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
SMILESC[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S2/c1-13(17(23)21-22-18(24)15-10-6-3-7-11-15)26-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMHGZJCXTDSWPGU-CYBMUJFWSA-N
MW383.50 g/mol
LogP3.75
Rot. Bonds5

About N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide

N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide (PubChem CID 8956006) has the molecular formula C19H17N3O2S2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
PubChem CID8956006
Molecular FormulaC19H17N3O2S2
Molecular Weight383.50 g/mol
Exact Mass383.08
IUPAC NameN'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide
SMILESC[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)NNC(=O)c1ccccc1
InChIInChI=1S/C19H17N3O2S2/c1-13(17(23)21-22-18(24)15-10-6-3-7-11-15)26-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23)(H,22,24)/t13-/m1/s1
InChIKeyMHGZJCXTDSWPGU-CYBMUJFWSA-N
XLogP3.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 46811270
(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9484086
(2R)-N-benzyl-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837092
N'-[(2S)-2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylpropanoyl]benzohydrazide
CID 8731420
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837093
N'-[(2S)-2-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 8911593
N-(1-cyanocyclohexyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4881139
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2550334
(2S)-N-[2-[(2R)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837022
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 7837023
N'-[(2R)-2-[[5-(prop-2-enylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanoyl]benzohydrazide
CID 8956974

Frequently Asked Questions

What is the IUPAC name of N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide?
The IUPAC name of N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide (CID 8956006) is N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide.
What is the SMILES notation for N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide?
The canonical SMILES for N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide is C[C@@H](Sc1nc(-c2ccccc2)cs1)C(=O)NNC(=O)c1ccccc1.
What is the InChIKey of N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide?
The InChIKey is MHGZJCXTDSWPGU-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N3O2S2/c1-13(17(23)21-22-18(24)15-10-6-3-7-11-15)26-19-20-16(12-25-19)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,23)(H,22,24)/t13-/m1/s1.
What are the key properties of N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide?
N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide has a molecular weight of 383.50 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2R)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanoyl]benzohydrazide is sourced from PubChem (CID 8956006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).