N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

C22H23N3O3S — CID 7970481

IUPACN'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-4-14-28-18-12-10-16(11-13-18)20(26)24-25-21(27)19-15(2)23-22(29-19)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRXMCISBYCVTNGK-UHFFFAOYSA-N
MW409.51 g/mol
LogP4.37
Rot. Bonds7

About N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide

N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 7970481) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID7970481
Molecular FormulaC22H23N3O3S
Molecular Weight409.51 g/mol
Exact Mass409.15
IUPAC NameN'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCCCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H23N3O3S/c1-3-4-14-28-18-12-10-16(11-13-18)20(26)24-25-21(27)19-15(2)23-22(29-19)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyRXMCISBYCVTNGK-UHFFFAOYSA-N
XLogP4.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-(4-butoxybenzoyl)-4-phenylbenzohydrazide
CID 3096307
N-[2-(4-methoxyphenoxy)ethyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 26710485
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N'-(4-ethoxybenzoyl)-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbohydrazide
CID 9086489
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
2-(4-methoxyphenyl)-4-methyl-N-(3-phenoxypropyl)-1,3-thiazole-5-carboxamide
CID 22830449
N'-(6-methoxypyridine-3-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 24531640
4-methyl-2-(4-propoxyphenyl)-1,3-thiazole-5-carboxylic acid
CID 4980405
2-(4-ethoxyphenyl)-4-methyl-N'-(1H-pyrrole-2-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 78861222
N'-[4-(2,5-dioxopyrrolidin-1-yl)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 35411866

Frequently Asked Questions

What is the IUPAC name of N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 7970481) is N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is CCCCOc1ccc(C(=O)NNC(=O)c2sc(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is RXMCISBYCVTNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-3-4-14-28-18-12-10-16(11-13-18)20(26)24-25-21(27)19-15(2)23-22(29-19)17-8-6-5-7-9-17/h5-13H,3-4,14H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 409.51 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butoxybenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 7970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).