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

C17H17N5O3S2 — CID 18155737

IUPAC2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H17N5O3S2/c23-15(12-11-27-17(18-12)22-6-8-25-9-7-22)19-20-16(24)14-13(3-10-26-14)21-4-1-2-5-21/h1-5,10-11H,6-9H2,(H,19,23)(H,20,24)
InChIKeyZWFGUAVDIDORDE-UHFFFAOYSA-N
MW403.49 g/mol
LogP1.91
Rot. Bonds4

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

2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 18155737) has the molecular formula C17H17N5O3S2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID18155737
Molecular FormulaC17H17N5O3S2
Molecular Weight403.49 g/mol
Exact Mass403.08
IUPAC Name2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1sccc1-n1cccc1)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H17N5O3S2/c23-15(12-11-27-17(18-12)22-6-8-25-9-7-22)19-20-16(24)14-13(3-10-26-14)21-4-1-2-5-21/h1-5,10-11H,6-9H2,(H,19,23)(H,20,24)
InChIKeyZWFGUAVDIDORDE-UHFFFAOYSA-N
XLogP1.91
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 51.91
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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Related Compounds

1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
2-morpholin-4-yl-N'-(1-phenylcyclopropanecarbonyl)-1,3-thiazole-4-carbohydrazide
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N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
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N'-(1,3-benzodioxole-5-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120599
2-morpholin-4-yl-N'-(2-phenoxypropanoyl)-1,3-thiazole-4-carbohydrazide
CID 18120608
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
2-morpholin-4-yl-N'-[2-(trifluoromethylsulfanyl)benzoyl]-1,3-thiazole-4-carbohydrazide
CID 55616625
1-(3-chlorophenyl)-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 46672798
N'-(3-fluoro-4-methylbenzoyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 31718405
N'-(2-ethoxypyridine-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 18155737) is 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is O=C(NNC(=O)c1sccc1-n1cccc1)c1csc(N2CCOCC2)n1.
What is the InChIKey of 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is ZWFGUAVDIDORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3S2/c23-15(12-11-27-17(18-12)22-6-8-25-9-7-22)19-20-16(24)14-13(3-10-26-14)21-4-1-2-5-21/h1-5,10-11H,6-9H2,(H,19,23)(H,20,24).
What are the key properties of 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 403.49 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(3-pyrrol-1-ylthiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 18155737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).