N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

C18H16N4O3S — CID 36703614

IUPACN'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCc1noc(-c2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)n1
InChIInChI=1S/C18H16N4O3S/c1-10-19-18(25-22-10)12-7-5-11(6-8-12)16(23)20-21-17(24)15-9-13-3-2-4-14(13)26-15/h5-9H,2-4H2,1H3,(H,20,23)(H,21,24)
InChIKeyLYKGLBAQGLUPEN-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.67
Rot. Bonds3

About N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide

N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (PubChem CID 36703614) has the molecular formula C18H16N4O3S and a molecular weight of 368.42 g/mol. Its IUPAC name is N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
PubChem CID36703614
Molecular FormulaC18H16N4O3S
Molecular Weight368.42 g/mol
Exact Mass368.09
IUPAC NameN'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
SMILESCc1noc(-c2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)n1
InChIInChI=1S/C18H16N4O3S/c1-10-19-18(25-22-10)12-7-5-11(6-8-12)16(23)20-21-17(24)15-9-13-3-2-4-14(13)26-15/h5-9H,2-4H2,1H3,(H,20,23)(H,21,24)
InChIKeyLYKGLBAQGLUPEN-UHFFFAOYSA-N
XLogP2.67
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-[4-(1,3,4-oxadiazol-2-yl)benzoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9092551
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N'-(4-fluorobenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 7946141
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 46652833
N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-5-methylfuran-2-carbohydrazide
CID 27684174
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-(4-methylphenyl)methanone
CID 43463038
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N'-propanoyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684415
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 56818669
N'-[3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 46578398
N'-(4-ethyl-5-methylthiophene-2-carbonyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 17479567

Frequently Asked Questions

What is the IUPAC name of N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide (CID 36703614) is N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is Cc1noc(-c2ccc(C(=O)NNC(=O)c3cc4c(s3)CCC4)cc2)n1.
What is the InChIKey of N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
The InChIKey is LYKGLBAQGLUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3S/c1-10-19-18(25-22-10)12-7-5-11(6-8-12)16(23)20-21-17(24)15-9-13-3-2-4-14(13)26-15/h5-9H,2-4H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide?
N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide has a molecular weight of 368.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 36703614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).