N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

C10H14N2S2 — CID 2739271

IUPACN,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2sccc2C1C
InChIInChI=1S/C10H14N2S2/c1-7-8-4-6-14-9(8)3-5-12(7)10(13)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,13)
InChIKeyDLMYFGHRWKOMJY-UHFFFAOYSA-N
MW226.37 g/mol
LogP2.17
Rot. Bonds

About N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 2739271) has the molecular formula C10H14N2S2 and a molecular weight of 226.37 g/mol. Its IUPAC name is N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound NameN,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID2739271
Molecular FormulaC10H14N2S2
Molecular Weight226.37 g/mol
Exact Mass226.06
IUPAC NameN,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCNC(=S)N1CCc2sccc2C1C
InChIInChI=1S/C10H14N2S2/c1-7-8-4-6-14-9(8)3-5-12(7)10(13)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,13)
InChIKeyDLMYFGHRWKOMJY-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide with MolForge

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Related Compounds

N5-methyl-4-propyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-5-carbothioamide
CID 2739368
4,5,6,7-Tetrahydrothieno(3,2-c)pyridine
CID 3085076
7-methyl-4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 14548169
N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
2-Methyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 18377285
4-ethyl-4H,5H,6H,7H-thieno(3,2-c)pyridine
CID 6485296
4,5,6,7-Tetrahydrothieno(3,2-c)pyridinium chloride
CID 10176342
4H,5H,6H,7H-thieno(2,3-c)pyridine
CID 12337025
1-(1-(4-Methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-3-phenethylthiourea
CID 12005974
7-Isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548170
7-Isopropyl-6-methyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548171
6-Allyl-7-isopropyl-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine
CID 14548173

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 2739271) is N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is CNC(=S)N1CCc2sccc2C1C.
What is the InChIKey of N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is DLMYFGHRWKOMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S2/c1-7-8-4-6-14-9(8)3-5-12(7)10(13)11-2/h4,6-7H,3,5H2,1-2H3,(H,11,13).
What are the key properties of N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 226.37 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 2739271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).