4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide

C15H17N3S2 — CID 81060692

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCc3sccc3C2)c(C(N)=S)c(C)n1
InChIInChI=1S/C15H17N3S2/c1-9-7-12(14(15(16)19)10(2)17-9)18-5-3-13-11(8-18)4-6-20-13/h4,6-7H,3,5,8H2,1-2H3,(H2,16,19)
InChIKeyNMHGTXYBYLRHLN-UHFFFAOYSA-N
MW303.46 g/mol
LogP2.96
Rot. Bonds2

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81060692) has the molecular formula C15H17N3S2 and a molecular weight of 303.46 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81060692
Molecular FormulaC15H17N3S2
Molecular Weight303.46 g/mol
Exact Mass303.09
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(N2CCc3sccc3C2)c(C(N)=S)c(C)n1
InChIInChI=1S/C15H17N3S2/c1-9-7-12(14(15(16)19)10(2)17-9)18-5-3-13-11(8-18)4-6-20-13/h4,6-7H,3,5,8H2,1-2H3,(H2,16,19)
InChIKeyNMHGTXYBYLRHLN-UHFFFAOYSA-N
XLogP2.96
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide (CID 81060692) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(N2CCc3sccc3C2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is NMHGTXYBYLRHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S2/c1-9-7-12(14(15(16)19)10(2)17-9)18-5-3-13-11(8-18)4-6-20-13/h4,6-7H,3,5,8H2,1-2H3,(H2,16,19).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 303.46 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81060692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).