N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide

C15H17N3O2S2 — CID 71882017

IUPACN'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CN2CCc3sccc3C2)s1
InChIInChI=1S/C15H17N3O2S2/c1-10-2-3-13(22-10)15(20)17-16-14(19)9-18-6-4-12-11(8-18)5-7-21-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHHEZFGYJUJUXTM-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.94
Rot. Bonds3

About N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide

N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide (PubChem CID 71882017) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide
PubChem CID71882017
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide
SMILESCc1ccc(C(=O)NNC(=O)CN2CCc3sccc3C2)s1
InChIInChI=1S/C15H17N3O2S2/c1-10-2-3-13(22-10)15(20)17-16-14(19)9-18-6-4-12-11(8-18)5-7-21-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)(H,17,20)
InChIKeyHHEZFGYJUJUXTM-UHFFFAOYSA-N
XLogP1.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]benzohydrazide
CID 18138052
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18140355
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47034364
N-[4-[[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]amino]phenyl]-3-methylbutanamide
CID 60563640
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-2-methyl-1-phenylpropyl]acetamide
CID 41367420
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 41361454
N-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18008469
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-fluorophenyl)acetamide
CID 17497850
N-[4-(diethylamino)phenyl]-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137887
N-(2-chloro-4,6-dimethylphenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137943
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95766083
N-(benzylcarbamoyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 18137945

Frequently Asked Questions

What is the IUPAC name of N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide?
The IUPAC name of N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide (CID 71882017) is N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide.
What is the SMILES notation for N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide?
The canonical SMILES for N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide is Cc1ccc(C(=O)NNC(=O)CN2CCc3sccc3C2)s1.
What is the InChIKey of N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide?
The InChIKey is HHEZFGYJUJUXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-10-2-3-13(22-10)15(20)17-16-14(19)9-18-6-4-12-11(8-18)5-7-21-12/h2-3,5,7H,4,6,8-9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide?
N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide has a molecular weight of 335.45 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetyl]-5-methylthiophene-2-carbohydrazide is sourced from PubChem (CID 71882017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).