1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide

C14H18N2OS2 — CID 55037722

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCc3sccc3C2)CCCC1
InChIInChI=1S/C14H18N2OS2/c15-12(18)14(5-1-2-6-14)13(17)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9H2,(H2,15,18)
InChIKeyQYCGMZNQHSERCJ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.48
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide

1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide (PubChem CID 55037722) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
PubChem CID55037722
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
SMILESNC(=S)C1(C(=O)N2CCc3sccc3C2)CCCC1
InChIInChI=1S/C14H18N2OS2/c15-12(18)14(5-1-2-6-14)13(17)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9H2,(H2,15,18)
InChIKeyQYCGMZNQHSERCJ-UHFFFAOYSA-N
XLogP2.48
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-(1,3-dihydroisoindole-2-carbonyl)cycloheptane-1-carbothioamide
CID 62230328
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide
CID 80589490
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119700089
(2S)-2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119276838
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(2-piperidin-1-yl-1,3-dihydroinden-2-yl)methanone
CID 42566424
(1-amino-3-ethoxy-2,2-dimethylcyclobutyl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 114827773
2-amino-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-ethylbutan-1-one
CID 79809401
2-cyclopent-2-en-1-yl-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 42932834
4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)benzoic acid
CID 43452700
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methoxypropan-1-one
CID 115588170
2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-N'-hydroxy-3-methylbutanimidamide
CID 76924704

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide (CID 55037722) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide is NC(=S)C1(C(=O)N2CCc3sccc3C2)CCCC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide?
The InChIKey is QYCGMZNQHSERCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c15-12(18)14(5-1-2-6-14)13(17)16-7-3-11-10(9-16)4-8-19-11/h4,8H,1-3,5-7,9H2,(H2,15,18).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide has a molecular weight of 294.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide is sourced from PubChem (CID 55037722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).