N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C16H19N5O4S — CID 18120604

IUPACN'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O4S/c1-2-25-15-11(4-3-5-17-15)13(22)19-20-14(23)12-10-26-16(18-12)21-6-8-24-9-7-21/h3-5,10H,2,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeySMQDJTGLQMHMQQ-UHFFFAOYSA-N
MW377.43 g/mol
LogP0.85
Rot. Bonds5

About N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 18120604) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID18120604
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC NameN'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCOc1ncccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C16H19N5O4S/c1-2-25-15-11(4-3-5-17-15)13(22)19-20-14(23)12-10-26-16(18-12)21-6-8-24-9-7-21/h3-5,10H,2,6-9H2,1H3,(H,19,22)(H,20,23)
InChIKeySMQDJTGLQMHMQQ-UHFFFAOYSA-N
XLogP0.85
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 18120604) is N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CCOc1ncccc1C(=O)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is SMQDJTGLQMHMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-2-25-15-11(4-3-5-17-15)13(22)19-20-14(23)12-10-26-16(18-12)21-6-8-24-9-7-21/h3-5,10H,2,6-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 377.43 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 18120604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).