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

C14H18N2OS2 — CID 80589490

IUPAC1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide
SMILESCC1c2ccsc2CCN1C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C14H18N2OS2/c1-9-10-4-8-19-11(10)3-7-16(9)13(17)14(12(15)18)5-2-6-14/h4,8-9H,2-3,5-7H2,1H3,(H2,15,18)
InChIKeyAYIDXICUOZBJLA-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.65
Rot. Bonds2

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

1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide (PubChem CID 80589490) has the molecular formula C14H18N2OS2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide.

Molecular Properties

Compound Name1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide
PubChem CID80589490
Molecular FormulaC14H18N2OS2
Molecular Weight294.44 g/mol
Exact Mass294.09
IUPAC Name1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide
SMILESCC1c2ccsc2CCN1C(=O)C1(C(N)=S)CCC1
InChIInChI=1S/C14H18N2OS2/c1-9-10-4-8-19-11(10)3-7-16(9)13(17)14(12(15)18)5-2-6-14/h4,8-9H,2-3,5-7H2,1H3,(H2,15,18)
InChIKeyAYIDXICUOZBJLA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
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

(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122514
1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclopentane-1-carbothioamide
CID 55037722
(3-ethylpyrrolidin-3-yl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 63143785
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023
N-ethyl-N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 116655108
2,2-dimethyl-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropanoic acid
CID 82820623
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
(1-aminocyclopropyl)-(4-cyclopropyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 65465100
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
5-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylic acid
CID 60722425

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide?
The IUPAC name of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide (CID 80589490) is 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide.
What is the SMILES notation for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide?
The canonical SMILES for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide is CC1c2ccsc2CCN1C(=O)C1(C(N)=S)CCC1.
What is the InChIKey of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide?
The InChIKey is AYIDXICUOZBJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS2/c1-9-10-4-8-19-11(10)3-7-16(9)13(17)14(12(15)18)5-2-6-14/h4,8-9H,2-3,5-7H2,1H3,(H2,15,18).
What are the key properties of 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide?
1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide has a molecular weight of 294.44 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carbothioamide is sourced from PubChem (CID 80589490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).