N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

C17H26N4O3S3 — CID 30544561

IUPACN'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCC[C@@H]1CCSS1
InChIInChI=1S/C17H26N4O3S3/c1-12-15(26-17(18-12)21-7-9-24-10-8-21)16(23)20-19-14(22)5-3-2-4-13-6-11-25-27-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeySCGXYIDOXLMFDK-CYBMUJFWSA-N
MW430.62 g/mol
LogP2.76
Rot. Bonds7

About N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide

N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (PubChem CID 30544561) has the molecular formula C17H26N4O3S3 and a molecular weight of 430.62 g/mol. Its IUPAC name is N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
PubChem CID30544561
Molecular FormulaC17H26N4O3S3
Molecular Weight430.62 g/mol
Exact Mass430.12
IUPAC NameN'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
SMILESCc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCC[C@@H]1CCSS1
InChIInChI=1S/C17H26N4O3S3/c1-12-15(26-17(18-12)21-7-9-24-10-8-21)16(23)20-19-14(22)5-3-2-4-13-6-11-25-27-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1
InChIKeySCGXYIDOXLMFDK-CYBMUJFWSA-N
XLogP2.76
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.62
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N'-[2-(4-methylphenyl)acetyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 17446856
N'-[3-(2-bromophenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55821814
N'-[2-(4-chlorophenyl)acetyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25445255
4-methyl-N'-[3-[5-(2-methylcyclopropyl)furan-2-yl]propanoyl]-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 55462805
4-methyl-2-morpholin-4-yl-N'-(2-phenoxyacetyl)-1,3-thiazole-5-carbohydrazide
CID 26554798
N'-[3-(3-methoxyphenyl)propanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 24543209
2,4-dichloro-N-[2-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 25447062
2-benzyl-4-methyl-N'-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 39912237
4-[(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 157011581
4-methyl-2-morpholin-4-yl-N'-(thiophene-3-carbonyl)-1,3-thiazole-5-carbohydrazide
CID 25446747
N-[4-[2-(4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbonyl)hydrazinyl]-4-oxobutan-2-yl]benzamide
CID 55379424
4-methyl-N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 25444482

Frequently Asked Questions

What is the IUPAC name of N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The IUPAC name of N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide (CID 30544561) is N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide.
What is the SMILES notation for N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The canonical SMILES for N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCC[C@@H]1CCSS1.
What is the InChIKey of N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
The InChIKey is SCGXYIDOXLMFDK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O3S3/c1-12-15(26-17(18-12)21-7-9-24-10-8-21)16(23)20-19-14(22)5-3-2-4-13-6-11-25-27-13/h13H,2-11H2,1H3,(H,19,22)(H,20,23)/t13-/m1/s1.
What are the key properties of N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide?
N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide has a molecular weight of 430.62 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[(3R)-dithiolan-3-yl]pentanoyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide is sourced from PubChem (CID 30544561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).