N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide

C18H12ClF3N4O2S — CID 22744097

IUPACN'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cnccc2C(F)(F)F)sc1C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N4O2S/c1-9-14(16(28)26-25-15(27)10-2-4-11(19)5-3-10)29-17(24-9)12-8-23-7-6-13(12)18(20,21)22/h2-8H,1H3,(H,25,27)(H,26,28)
InChIKeyABPZJABSOQSEIF-UHFFFAOYSA-N
MW440.83 g/mol
LogP4.26
Rot. Bonds3

About N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide

N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide (PubChem CID 22744097) has the molecular formula C18H12ClF3N4O2S and a molecular weight of 440.83 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide
PubChem CID22744097
Molecular FormulaC18H12ClF3N4O2S
Molecular Weight440.83 g/mol
Exact Mass440.03
IUPAC NameN'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(-c2cnccc2C(F)(F)F)sc1C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H12ClF3N4O2S/c1-9-14(16(28)26-25-15(27)10-2-4-11(19)5-3-10)29-17(24-9)12-8-23-7-6-13(12)18(20,21)22/h2-8H,1H3,(H,25,27)(H,26,28)
InChIKeyABPZJABSOQSEIF-UHFFFAOYSA-N
XLogP4.26
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.83
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide (CID 22744097) is N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide is Cc1nc(-c2cnccc2C(F)(F)F)sc1C(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide?
The InChIKey is ABPZJABSOQSEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF3N4O2S/c1-9-14(16(28)26-25-15(27)10-2-4-11(19)5-3-10)29-17(24-9)12-8-23-7-6-13(12)18(20,21)22/h2-8H,1H3,(H,25,27)(H,26,28).
What are the key properties of N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide?
N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide has a molecular weight of 440.83 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-4-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 22744097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).