N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C18H22N4O3S2 — CID 46612306

IUPACN'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCC1CCc2sc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2C1
InChIInChI=1S/C18H22N4O3S2/c1-11-2-3-14-12(8-11)9-15(27-14)17(24)21-20-16(23)13-10-26-18(19-13)22-4-6-25-7-5-22/h9-11H,2-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyDSJZHXIUAAZEJJ-UHFFFAOYSA-N
MW406.53 g/mol
LogP2.24
Rot. Bonds3

About N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 46612306) has the molecular formula C18H22N4O3S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID46612306
Molecular FormulaC18H22N4O3S2
Molecular Weight406.53 g/mol
Exact Mass406.11
IUPAC NameN'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCC1CCc2sc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2C1
InChIInChI=1S/C18H22N4O3S2/c1-11-2-3-14-12(8-11)9-15(27-14)17(24)21-20-16(23)13-10-26-18(19-13)22-4-6-25-7-5-22/h9-11H,2-8H2,1H3,(H,20,23)(H,21,24)
InChIKeyDSJZHXIUAAZEJJ-UHFFFAOYSA-N
XLogP2.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-methyl-N-(4-morpholin-4-ylphenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 2526469
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
N'-(2,5-dimethylthiophene-3-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 24553635
2-morpholin-4-yl-N'-(thiophene-2-carbonyl)-1,3-thiazole-4-carbohydrazide
CID 18120603
5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24983206
3-methyl-N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-5-propan-2-yl-1,2-oxazole-4-carbohydrazide
CID 84940277
1-[(1S,2R)-2-methylcyclohexyl]-3-[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]thiourea
CID 8768628
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 43060966
N'-[(5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]pyridine-4-carbohydrazide
CID 7678009
7-methyl-N'-[(5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl]imidazo[1,2-a]pyridine-2-carbohydrazide
CID 26784578
N'-(5-methylfuran-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 18120592

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 46612306) is N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CC1CCc2sc(C(=O)NNC(=O)c3csc(N4CCOCC4)n3)cc2C1.
What is the InChIKey of N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is DSJZHXIUAAZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S2/c1-11-2-3-14-12(8-11)9-15(27-14)17(24)21-20-16(23)13-10-26-18(19-13)22-4-6-25-7-5-22/h9-11H,2-8H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 406.53 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 46612306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).