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

C17H18Cl2N2S2 — CID 2739366

IUPACN-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCCCC1c2ccsc2CCN1C(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2S2/c1-2-3-15-12-7-9-23-16(12)6-8-21(15)17(22)20-14-5-4-11(18)10-13(14)19/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,20,22)
InChIKeyBSMAWEBBKYGSCB-UHFFFAOYSA-N
MW385.39 g/mol
LogP6.15
Rot. Bonds3

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

N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 2739366) has the molecular formula C17H18Cl2N2S2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID2739366
Molecular FormulaC17H18Cl2N2S2
Molecular Weight385.39 g/mol
Exact Mass384.03
IUPAC NameN-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESCCCC1c2ccsc2CCN1C(=S)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2S2/c1-2-3-15-12-7-9-23-16(12)6-8-21(15)17(22)20-14-5-4-11(18)10-13(14)19/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,20,22)
InChIKeyBSMAWEBBKYGSCB-UHFFFAOYSA-N
XLogP6.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-Dichlorophenyl)-3-(1-pyrrolidin-1-yl-1-thiophen-2-ylpropan-2-yl)thiourea
CID 4359782
N'-(4-chlorophenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 5073031
N'-(5-chloro-2-methylphenyl)-N-[3-(4-methylpiperazin-1-yl)propyl]-N-(thien-2-ylmethyl)thiourea
CID 5102015
N-(4-chlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 2739364
N-(2,4-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 2739407
N-(2,6-dichlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 24133757
[1-(2-{2-[(2,4-Dichloro-phenylamino)-methyl]-benzo[b]thiophen-3-yl}-ethyl)-piperidin-4-yl]-dimethyl-amine
CID 44362838
N-(3,5-dichlorophenyl)-4-(4-methylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155532999
N-(3,5-dichlorophenyl)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155558589
N-(2,4-dichlorophenyl)-2-thiophen-2-ylpyrrolidine-1-carbothioamide
CID 2805690
3-(4-chloro-3-methylphenyl)-1-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-1-(thiophen-2-ylmethyl)thiourea
CID 92206129
N-(3,5-dichlorophenyl)-4-(4-propan-2-ylphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 155520123

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 2739366) is N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is CCCC1c2ccsc2CCN1C(=S)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is BSMAWEBBKYGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2N2S2/c1-2-3-15-12-7-9-23-16(12)6-8-21(15)17(22)20-14-5-4-11(18)10-13(14)19/h4-5,7,9-10,15H,2-3,6,8H2,1H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 385.39 g/mol, XLogP of 6.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-4-propyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 2739366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).