N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C19H19BrN6O3S — CID 38824494

IUPACN'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C19H19BrN6O3S/c1-12-16(30-19(22-12)25-6-8-29-9-7-25)18(28)24-23-17(27)13-2-4-15(5-3-13)26-11-14(20)10-21-26/h2-5,10-11H,6-9H2,1H3,(H,23,27)(H,24,28)
InChIKeyHRIPILPMCUSLSW-UHFFFAOYSA-N
MW491.37 g/mol
LogP2.31
Rot. Bonds4

About N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 38824494) has the molecular formula C19H19BrN6O3S and a molecular weight of 491.37 g/mol. Its IUPAC name is N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID38824494
Molecular FormulaC19H19BrN6O3S
Molecular Weight491.37 g/mol
Exact Mass490.04
IUPAC NameN'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C19H19BrN6O3S/c1-12-16(30-19(22-12)25-6-8-29-9-7-25)18(28)24-23-17(27)13-2-4-15(5-3-13)26-11-14(20)10-21-26/h2-5,10-11H,6-9H2,1H3,(H,23,27)(H,24,28)
InChIKeyHRIPILPMCUSLSW-UHFFFAOYSA-N
XLogP2.31
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.37
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482
N'-(4-amino-3-nitrobenzoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 46656827
methyl 2-[[4-(4-bromopyrazol-1-yl)benzoyl]amino]-5-morpholin-4-ylbenzoate
CID 55670752
4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24553616
N'-[3-(2-bromophenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55821814
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-(3-chloro-1-benzothiophene-2-carbonyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25446089

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 38824494) is N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is HRIPILPMCUSLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O3S/c1-12-16(30-19(22-12)25-6-8-29-9-7-25)18(28)24-23-17(27)13-2-4-15(5-3-13)26-11-14(20)10-21-26/h2-5,10-11H,6-9H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 491.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-bromopyrazol-1-yl)benzoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 38824494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).