N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C17H26N4O5S2 — CID 55788739

IUPACN'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H26N4O5S2/c1-12-15(27-17(18-12)21-7-9-26-10-8-21)16(23)20-19-14(22)6-11-28(24,25)13-4-2-3-5-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyCFDLPGNWSKCRRY-UHFFFAOYSA-N
MW430.55 g/mol
LogP0.80
Rot. Bonds6

About N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 55788739) has the molecular formula C17H26N4O5S2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID55788739
Molecular FormulaC17H26N4O5S2
Molecular Weight430.55 g/mol
Exact Mass430.13
IUPAC NameN'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCS(=O)(=O)C1CCCC1
InChIInChI=1S/C17H26N4O5S2/c1-12-15(27-17(18-12)21-7-9-26-10-8-21)16(23)20-19-14(22)6-11-28(24,25)13-4-2-3-5-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyCFDLPGNWSKCRRY-UHFFFAOYSA-N
XLogP0.80
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 50.80
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'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 55788739) is N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCS(=O)(=O)C1CCCC1.
What is the InChIKey of N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is CFDLPGNWSKCRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O5S2/c1-12-15(27-17(18-12)21-7-9-26-10-8-21)16(23)20-19-14(22)6-11-28(24,25)13-4-2-3-5-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 430.55 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-cyclopentylsulfonylpropanoyl)-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 55788739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).