N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide

C18H15ClN4O3S — CID 35076867

IUPACN'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NNC(=O)c1ccccn1
InChIInChI=1S/C18H15ClN4O3S/c19-12-4-6-14(7-5-12)26-10-17-21-13(11-27-17)9-16(24)22-23-18(25)15-3-1-2-8-20-15/h1-8,11H,9-10H2,(H,22,24)(H,23,25)
InChIKeyQHNCPMGZPNDMOD-UHFFFAOYSA-N
MW402.86 g/mol
LogP2.77
Rot. Bonds6

About N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide

N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide (PubChem CID 35076867) has the molecular formula C18H15ClN4O3S and a molecular weight of 402.86 g/mol. Its IUPAC name is N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
PubChem CID35076867
Molecular FormulaC18H15ClN4O3S
Molecular Weight402.86 g/mol
Exact Mass402.06
IUPAC NameN'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
SMILESO=C(Cc1csc(COc2ccc(Cl)cc2)n1)NNC(=O)c1ccccn1
InChIInChI=1S/C18H15ClN4O3S/c19-12-4-6-14(7-5-12)26-10-17-21-13(11-27-17)9-16(24)22-23-18(25)15-3-1-2-8-20-15/h1-8,11H,9-10H2,(H,22,24)(H,23,25)
InChIKeyQHNCPMGZPNDMOD-UHFFFAOYSA-N
XLogP2.77
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.86
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 27286822
2-[2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]phenyl]acetamide
CID 55603959
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 24524667
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]acetamide
CID 46649581
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 34141754
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(propan-2-yloxymethyl)phenyl]methyl]acetamide
CID 55577890
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 33296953
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-(2-phenylpyrimidin-5-yl)acetamide
CID 134009590
N'-[2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide
CID 17495634
2-[(4-chlorophenoxy)methyl]-N-(2-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 39897975
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N'-[2-(2,5-dimethylphenoxy)acetyl]acetohydrazide
CID 35819751
N-benzyl-2-[[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]amino]benzamide
CID 24563087

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide (CID 35076867) is N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide is O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NNC(=O)c1ccccn1.
What is the InChIKey of N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide?
The InChIKey is QHNCPMGZPNDMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O3S/c19-12-4-6-14(7-5-12)26-10-17-21-13(11-27-17)9-16(24)22-23-18(25)15-3-1-2-8-20-15/h1-8,11H,9-10H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide?
N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide has a molecular weight of 402.86 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]acetyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 35076867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).