N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

C20H21N3O2S3 — CID 24514859

IUPACN'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
SMILESO=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C20H21N3O2S3/c24-18(11-14-12-27-20(21-14)16-8-5-9-26-16)22-23-19(25)17-10-13-6-3-1-2-4-7-15(13)28-17/h5,8-10,12H,1-4,6-7,11H2,(H,22,24)(H,23,25)
InChIKeyCGVQQPLGMGJDQR-UHFFFAOYSA-N
MW431.61 g/mol
LogP4.60
Rot. Bonds4

About N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide

N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide (PubChem CID 24514859) has the molecular formula C20H21N3O2S3 and a molecular weight of 431.61 g/mol. Its IUPAC name is N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
PubChem CID24514859
Molecular FormulaC20H21N3O2S3
Molecular Weight431.61 g/mol
Exact Mass431.08
IUPAC NameN'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
SMILESO=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1cc2c(s1)CCCCCC2
InChIInChI=1S/C20H21N3O2S3/c24-18(11-14-12-27-20(21-14)16-8-5-9-26-16)22-23-19(25)17-10-13-6-3-1-2-4-7-15(13)28-17/h5,8-10,12H,1-4,6-7,11H2,(H,22,24)(H,23,25)
InChIKeyCGVQQPLGMGJDQR-UHFFFAOYSA-N
XLogP4.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.61
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide with MolForge

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Related Compounds

N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 25494413
N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
CID 2663641
N'-[2-(4-chlorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684454
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
N'-[2-(4-nitrophenyl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9441691
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N'-(4-oxo-4-phenylbutanoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 9301275
N-[(2R)-2-hydroxypropyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 83032506
N'-[2-(3-fluorophenyl)acetyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbohydrazide
CID 27684200
N-[1-(aminomethyl)cyclopentyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119567872

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide (CID 24514859) is N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide is O=C(Cc1csc(-c2cccs2)n1)NNC(=O)c1cc2c(s1)CCCCCC2.
What is the InChIKey of N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
The InChIKey is CGVQQPLGMGJDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S3/c24-18(11-14-12-27-20(21-14)16-8-5-9-26-16)22-23-19(25)17-10-13-6-3-1-2-4-7-15(13)28-17/h5,8-10,12H,1-4,6-7,11H2,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide?
N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide has a molecular weight of 431.61 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide is sourced from PubChem (CID 24514859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).