N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C18H17ClN6O3S — CID 16599836

IUPACN'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H17ClN6O3S/c19-12-3-1-11(2-4-12)15-13(9-20-22-15)16(26)23-24-17(27)14-10-29-18(21-14)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H,20,22)(H,23,26)(H,24,27)
InChIKeyHHMPWJYVKJUVFO-UHFFFAOYSA-N
MW432.89 g/mol
LogP2.10
Rot. Bonds4

About N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 16599836) has the molecular formula C18H17ClN6O3S and a molecular weight of 432.89 g/mol. Its IUPAC name is N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID16599836
Molecular FormulaC18H17ClN6O3S
Molecular Weight432.89 g/mol
Exact Mass432.08
IUPAC NameN'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C18H17ClN6O3S/c19-12-3-1-11(2-4-12)15-13(9-20-22-15)16(26)23-24-17(27)14-10-29-18(21-14)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H,20,22)(H,23,26)(H,24,27)
InChIKeyHHMPWJYVKJUVFO-UHFFFAOYSA-N
XLogP2.10
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.89
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 16599836) is N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1cn[nH]c1-c1ccc(Cl)cc1)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is HHMPWJYVKJUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN6O3S/c19-12-3-1-11(2-4-12)15-13(9-20-22-15)16(26)23-24-17(27)14-10-29-18(21-14)25-5-7-28-8-6-25/h1-4,9-10H,5-8H2,(H,20,22)(H,23,26)(H,24,27).
What are the key properties of N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 432.89 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 16599836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).