(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

C15H15ClN2S2 — CID 6925831

IUPAC(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC[C@@H]1c2ccsc2CCN1C(=S)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN2S2/c1-10-11-7-9-20-14(11)6-8-18(10)15(19)17-13-5-3-2-4-12(13)16/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyPPGVXFIVCCGTDA-SNVBAGLBSA-N
MW322.89 g/mol
LogP4.72
Rot. Bonds1

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

(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 6925831) has the molecular formula C15H15ClN2S2 and a molecular weight of 322.89 g/mol. Its IUPAC name is (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID6925831
Molecular FormulaC15H15ClN2S2
Molecular Weight322.89 g/mol
Exact Mass322.04
IUPAC Name(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESC[C@@H]1c2ccsc2CCN1C(=S)Nc1ccccc1Cl
InChIInChI=1S/C15H15ClN2S2/c1-10-11-7-9-20-14(11)6-8-18(10)15(19)17-13-5-3-2-4-12(13)16/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)/t10-/m1/s1
InChIKeyPPGVXFIVCCGTDA-SNVBAGLBSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.89
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
CID 7188888
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001
(4S)-4-methyl-N-(2,3,4-trichlorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 6975463
(E)-3-(2-chlorophenyl)-1-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]prop-2-en-1-one
CID 8948912
N-(2-chlorophenyl)-4-[(E)-3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxoprop-1-enyl]benzenesulfonamide
CID 24504556
N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
[5-(2-chlorophenyl)furan-2-yl]-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24504582
2-chloro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)benzenecarbothioamide
CID 62496189
N-benzyl-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121151
N-(2,6-dichlorophenyl)-2-[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 26006047
methyl (2S)-2-(2-chlorophenyl)-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate
CID 66999171
[(4R)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-thiophen-2-ylmethanone
CID 6929698

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 6925831) is (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is C[C@@H]1c2ccsc2CCN1C(=S)Nc1ccccc1Cl.
What is the InChIKey of (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is PPGVXFIVCCGTDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H15ClN2S2/c1-10-11-7-9-20-14(11)6-8-18(10)15(19)17-13-5-3-2-4-12(13)16/h2-5,7,9-10H,6,8H2,1H3,(H,17,19)/t10-/m1/s1.
What are the key properties of (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 322.89 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 6925831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).