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

C12H18N2S2 — CID 2739368

IUPACN-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCCCC1c2ccsc2CCN1C(=S)NC
InChIInChI=1S/C12H18N2S2/c1-3-4-10-9-6-8-16-11(9)5-7-14(10)12(15)13-2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyCZAMDQHGPVQUGN-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.95
Rot. Bonds2

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

N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 2739368) has the molecular formula C12H18N2S2 and a molecular weight of 254.42 g/mol. Its IUPAC name is N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID2739368
Molecular FormulaC12H18N2S2
Molecular Weight254.42 g/mol
Exact Mass254.09
IUPAC NameN-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCCCC1c2ccsc2CCN1C(=S)NC
InChIInChI=1S/C12H18N2S2/c1-3-4-10-9-6-8-16-11(9)5-7-14(10)12(15)13-2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15)
InChIKeyCZAMDQHGPVQUGN-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 2739368) is N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is CCCC1c2ccsc2CCN1C(=S)NC.
What is the InChIKey of N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is CZAMDQHGPVQUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2S2/c1-3-4-10-9-6-8-16-11(9)5-7-14(10)12(15)13-2/h6,8,10H,3-5,7H2,1-2H3,(H,13,15).
What are the key properties of N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 254.42 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 2739368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).