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

C17H23N5O4S — CID 166405549

IUPAC2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESC=CC(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H23N5O4S/c1-2-14(23)21-5-3-12(4-6-21)15(24)19-20-16(25)13-11-27-17(18-13)22-7-9-26-10-8-22/h2,11-12H,1,3-10H2,(H,19,24)(H,20,25)
InChIKeyOTOPKUGNCONPGW-UHFFFAOYSA-N
MW393.47 g/mol
LogP0.17
Rot. Bonds4

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

2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide (PubChem CID 166405549) has the molecular formula C17H23N5O4S and a molecular weight of 393.47 g/mol. Its IUPAC name is 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound Name2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide
PubChem CID166405549
Molecular FormulaC17H23N5O4S
Molecular Weight393.47 g/mol
Exact Mass393.15
IUPAC Name2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide
SMILESC=CC(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1
InChIInChI=1S/C17H23N5O4S/c1-2-14(23)21-5-3-12(4-6-21)15(24)19-20-16(25)13-11-27-17(18-13)22-7-9-26-10-8-22/h2,11-12H,1,3-10H2,(H,19,24)(H,20,25)
InChIKeyOTOPKUGNCONPGW-UHFFFAOYSA-N
XLogP0.17
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The IUPAC name of 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide (CID 166405549) is 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide is C=CC(=O)N1CCC(C(=O)NNC(=O)c2csc(N3CCOCC3)n2)CC1.
What is the InChIKey of 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
The InChIKey is OTOPKUGNCONPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4S/c1-2-14(23)21-5-3-12(4-6-21)15(24)19-20-16(25)13-11-27-17(18-13)22-7-9-26-10-8-22/h2,11-12H,1,3-10H2,(H,19,24)(H,20,25).
What are the key properties of 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide?
2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide has a molecular weight of 393.47 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 166405549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).