tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate

C19H24N4O4S — CID 9161034

IUPACtert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O4S/c1-12-15(28-17(21-12)13-8-6-5-7-9-13)16(25)23-22-14(24)10-11-20-18(26)27-19(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,26)(H,22,24)(H,23,25)
InChIKeyAKFMCCDQOHSOKW-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.79
Rot. Bonds5

About tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate

tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate (PubChem CID 9161034) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate
PubChem CID9161034
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC Nametert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate
SMILESCc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C19H24N4O4S/c1-12-15(28-17(21-12)13-8-6-5-7-9-13)16(25)23-22-14(24)10-11-20-18(26)27-19(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,26)(H,22,24)(H,23,25)
InChIKeyAKFMCCDQOHSOKW-UHFFFAOYSA-N
XLogP2.79
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 25439163
4-methyl-N'-(2-naphthalen-2-ylacetyl)-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 9418607
N'-[3-(2-fluorophenyl)propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 40724602
4-methyl-N'-[2-(4-methylanilino)acetyl]-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 18293182
tert-butyl N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]carbamate
CID 9224304
4-methyl-2-phenyl-N'-[2-(2,4,6-trimethylphenoxy)acetyl]-1,3-thiazole-5-carbohydrazide
CID 9418645
N'-[2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carbonyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 55616426
N-[4-[2-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]phenyl]acetamide
CID 25439927
N'-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoyl]-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 51546504
[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxo-1-phenylpropyl]urea
CID 24642983
4-methyl-N-naphthalen-1-yl-2-phenyl-1,3-thiazole-5-carboxamide
CID 4076042
N'-(2-fluorobenzoyl)-4-methyl-2-phenyl-1,3-thiazole-5-carbohydrazide
CID 7970391

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate (CID 9161034) is tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate is Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate?
The InChIKey is AKFMCCDQOHSOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12-15(28-17(21-12)13-8-6-5-7-9-13)16(25)23-22-14(24)10-11-20-18(26)27-19(2,3)4/h5-9H,10-11H2,1-4H3,(H,20,26)(H,22,24)(H,23,25).
What are the key properties of tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate?
tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate has a molecular weight of 404.49 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)hydrazinyl]-3-oxopropyl]carbamate is sourced from PubChem (CID 9161034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).