N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

C17H25N5O4S — CID 18120613

IUPACN-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O4S/c23-14(10-18-15(24)12-4-2-1-3-5-12)20-21-16(25)13-11-27-17(19-13)22-6-8-26-9-7-22/h11-12H,1-10H2,(H,18,24)(H,20,23)(H,21,25)
InChIKeyPQNGTIXHLOPNKK-UHFFFAOYSA-N
MW395.49 g/mol
LogP0.44
Rot. Bonds5

About N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide

N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (PubChem CID 18120613) has the molecular formula C17H25N5O4S and a molecular weight of 395.49 g/mol. Its IUPAC name is N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
PubChem CID18120613
Molecular FormulaC17H25N5O4S
Molecular Weight395.49 g/mol
Exact Mass395.16
IUPAC NameN-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide
SMILESO=C(CNC(=O)C1CCCCC1)NNC(=O)c1csc(N2CCOCC2)n1
InChIInChI=1S/C17H25N5O4S/c23-14(10-18-15(24)12-4-2-1-3-5-12)20-21-16(25)13-11-27-17(19-13)22-6-8-26-9-7-22/h11-12H,1-10H2,(H,18,24)(H,20,23)(H,21,25)
InChIKeyPQNGTIXHLOPNKK-UHFFFAOYSA-N
XLogP0.44
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.49
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
4-tert-butyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 31718296
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
2-methyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 55346400
3,4-dimethyl-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553651
2,4-dichloro-N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24553645
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24553655
2-morpholin-4-yl-N'-(1-prop-2-enoylpiperidine-4-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 166405549
1-[(1S,2R)-2-methylcyclohexyl]-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 8768628
2-morpholin-4-yl-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]-1,3-thiazole-4-carbohydrazide
CID 18120612
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
1-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]-3-[(1-phenylcyclobutyl)methyl]urea
CID 41429984

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide (CID 18120613) is N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is O=C(CNC(=O)C1CCCCC1)NNC(=O)c1csc(N2CCOCC2)n1.
What is the InChIKey of N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
The InChIKey is PQNGTIXHLOPNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O4S/c23-14(10-18-15(24)12-4-2-1-3-5-12)20-21-16(25)13-11-27-17(19-13)22-6-8-26-9-7-22/h11-12H,1-10H2,(H,18,24)(H,20,23)(H,21,25).
What are the key properties of N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide?
N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide has a molecular weight of 395.49 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)hydrazinyl]-2-oxoethyl]cyclohexanecarboxamide is sourced from PubChem (CID 18120613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).