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

C19H20ClN7O3S — CID 24553616

IUPACN'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN7O3S/c1-11-15(31-19(21-11)26-7-9-30-10-8-26)17(28)23-24-18(29)16-22-12(2)27(25-16)14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyMRAAVLIXEHNFAA-UHFFFAOYSA-N
MW461.94 g/mol
LogP1.91
Rot. Bonds4

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

N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 24553616) has the molecular formula C19H20ClN7O3S and a molecular weight of 461.94 g/mol. Its IUPAC name is N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID24553616
Molecular FormulaC19H20ClN7O3S
Molecular Weight461.94 g/mol
Exact Mass461.10
IUPAC NameN'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H20ClN7O3S/c1-11-15(31-19(21-11)26-7-9-30-10-8-26)17(28)23-24-18(29)16-22-12(2)27(25-16)14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyMRAAVLIXEHNFAA-UHFFFAOYSA-N
XLogP1.91
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.94
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of 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) is N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)c1nc(C)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is MRAAVLIXEHNFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN7O3S/c1-11-15(31-19(21-11)26-7-9-30-10-8-26)17(28)23-24-18(29)16-22-12(2)27(25-16)14-5-3-13(20)4-6-14/h3-6H,7-10H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 461.94 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-chlorophenyl)-5-methyl-1,2,4-triazole-3-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 24553616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).