N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

C15H16N2OS2 — CID 2663641

IUPACN'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccs1
InChIInChI=1S/C15H16N2OS2/c1-10(12-7-4-8-19-12)16-17-15(18)14-9-11-5-2-3-6-13(11)20-14/h4,7-9,16H,1-3,5-6H2,(H,17,18)
InChIKeyNCYOLNDIHCPSQP-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.59
Rot. Bonds4

About N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide

N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (PubChem CID 2663641) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
PubChem CID2663641
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC NameN'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
SMILESC=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccs1
InChIInChI=1S/C15H16N2OS2/c1-10(12-7-4-8-19-12)16-17-15(18)14-9-11-5-2-3-6-13(11)20-14/h4,7-9,16H,1-3,5-6H2,(H,17,18)
InChIKeyNCYOLNDIHCPSQP-UHFFFAOYSA-N
XLogP3.59
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(thiophene-2-carbonylamino)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 31520701
N'-benzoyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 26422783
N'-acetyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 43004091
N'-(5-acetylthiophene-2-carbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 9089399
N'-(5-methylthiophene-2-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 31845773
N-(2-thiophen-2-ylethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 31365053
N'-(4-fluorobenzoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbohydrazide
CID 7946141
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
N-[4-[(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonylamino)carbamoyl]phenyl]thiophene-2-sulfonamide
CID 26872757
1-oxido-N'-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carbonyl)pyridin-1-ium-3-carbohydrazide
CID 27164726
N-(2-chloroprop-2-enyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 115636897
N'-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-5-methylfuran-2-carbohydrazide
CID 27684174

Frequently Asked Questions

What is the IUPAC name of N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The IUPAC name of N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide (CID 2663641) is N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide.
What is the SMILES notation for N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The canonical SMILES for N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is C=C(NNC(=O)c1cc2c(s1)CCCC2)c1cccs1.
What is the InChIKey of N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
The InChIKey is NCYOLNDIHCPSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c1-10(12-7-4-8-19-12)16-17-15(18)14-9-11-5-2-3-6-13(11)20-14/h4,7-9,16H,1-3,5-6H2,(H,17,18).
What are the key properties of N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide?
N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide has a molecular weight of 304.44 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-thiophen-2-ylethenyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide is sourced from PubChem (CID 2663641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).