N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide

C20H15N3OS — CID 21240087

IUPACN'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2cccc3ccccc23)cs1)c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-19(15-8-2-1-3-9-15)22-23-20-21-18(13-25-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,21,23)(H,22,24)
InChIKeyLTNLGGHJAPKKPA-UHFFFAOYSA-N
MW345.43 g/mol
LogP4.72
Rot. Bonds4

About N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide

N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide (PubChem CID 21240087) has the molecular formula C20H15N3OS and a molecular weight of 345.43 g/mol. Its IUPAC name is N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide.

Molecular Properties

Compound NameN'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
PubChem CID21240087
Molecular FormulaC20H15N3OS
Molecular Weight345.43 g/mol
Exact Mass345.09
IUPAC NameN'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide
SMILESO=C(NNc1nc(-c2cccc3ccccc23)cs1)c1ccccc1
InChIInChI=1S/C20H15N3OS/c24-19(15-8-2-1-3-9-15)22-23-20-21-18(13-25-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,21,23)(H,22,24)
InChIKeyLTNLGGHJAPKKPA-UHFFFAOYSA-N
XLogP4.72
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 694785
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
4-[ethyl(phenyl)sulfamoyl]-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzamide
CID 4280238
2-naphthalen-1-yloxy-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetamide
CID 4038077
trans-(1S,2S)-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 1220752
2-(4-naphthalen-1-yl-1,3-thiazol-2-yl)acetic acid
CID 5228414
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-4-phenylsulfanylbutanamide
CID 4038932
2-acetamido-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)propanamide
CID 71904435
3-methyl-N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-phenylquinoline-4-carboxamide
CID 3497101
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
N-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-3-nitrobenzamide
CID 99148440

Frequently Asked Questions

What is the IUPAC name of N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide?
The IUPAC name of N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide (CID 21240087) is N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide.
What is the SMILES notation for N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide?
The canonical SMILES for N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide is O=C(NNc1nc(-c2cccc3ccccc23)cs1)c1ccccc1.
What is the InChIKey of N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide?
The InChIKey is LTNLGGHJAPKKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3OS/c24-19(15-8-2-1-3-9-15)22-23-20-21-18(13-25-20)17-12-6-10-14-7-4-5-11-16(14)17/h1-13H,(H,21,23)(H,22,24).
What are the key properties of N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide?
N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide has a molecular weight of 345.43 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-naphthalen-1-yl-1,3-thiazol-2-yl)benzohydrazide is sourced from PubChem (CID 21240087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).