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

C22H25N3O2S — CID 46651893

IUPACN'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25N3O2S/c1-13-18(28-20(23-13)17-5-3-2-4-6-17)19(26)24-25-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,14-16H,7-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNAANZNQFIMXXEY-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.10
Rot. Bonds3

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

N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (PubChem CID 46651893) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
PubChem CID46651893
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H25N3O2S/c1-13-18(28-20(23-13)17-5-3-2-4-6-17)19(26)24-25-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,14-16H,7-12H2,1H3,(H,24,26)(H,25,27)
InChIKeyNAANZNQFIMXXEY-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.10
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

N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
CID 90546468
1-[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]-3-(1,2,2-trichloroethenyl)urea
CID 2797681
N'-(4-bromobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439398
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391
N'-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9160970
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N'-[4-(dimethylamino)benzoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 78784342
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
N'-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 25439328
N-[2-[[(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]phenyl]benzamide
CID 30544350
N'-(2,3-dihydro-1H-indene-5-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9011381

Frequently Asked Questions

What is the IUPAC name of N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide (CID 46651893) is N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
The InChIKey is NAANZNQFIMXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-13-18(28-20(23-13)17-5-3-2-4-6-17)19(26)24-25-21(27)22-10-14-7-15(11-22)9-16(8-14)12-22/h2-6,14-16H,7-12H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide?
N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide has a molecular weight of 395.53 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(adamantane-1-carbonyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 46651893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).