4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide

C16H15ClN2OS2 — CID 7188888

IUPAC4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
SMILESC[C@H]1c2ccsc2CCN1C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2OS2/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)/t10-/m0/s1
InChIKeyXVPVSGSXGZTJEZ-JTQLQIEISA-N
MW350.90 g/mol
LogP4.04
Rot. Bonds1

About 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide

4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide (PubChem CID 7188888) has the molecular formula C16H15ClN2OS2 and a molecular weight of 350.90 g/mol. Its IUPAC name is 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
PubChem CID7188888
Molecular FormulaC16H15ClN2OS2
Molecular Weight350.90 g/mol
Exact Mass350.03
IUPAC Name4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide
SMILESC[C@H]1c2ccsc2CCN1C(=S)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClN2OS2/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)/t10-/m0/s1
InChIKeyXVPVSGSXGZTJEZ-JTQLQIEISA-N
XLogP4.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.90
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 47121119
(2-bromo-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 107988209
(4R)-N-(2-chlorophenyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 6925831
(2-amino-4-chlorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61140438
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-methylphenyl)methanone
CID 8948806
[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-(4-propan-2-ylphenyl)methanone
CID 8948835
N-(2-chloroacetyl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 55010144
2-chloro-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949001
(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(4-sulfanylphenyl)methanone
CID 107026703
(4-fluorophenyl)-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18156073
4-bromo-N-[3-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-3-oxopropyl]benzamide
CID 8949400
2,2-difluoro-1-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 103604023

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide?
The IUPAC name of 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide (CID 7188888) is 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide?
The canonical SMILES for 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide is C[C@H]1c2ccsc2CCN1C(=S)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide?
The InChIKey is XVPVSGSXGZTJEZ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15ClN2OS2/c1-10-13-7-9-22-14(13)6-8-19(10)16(21)18-15(20)11-2-4-12(17)5-3-11/h2-5,7,9-10H,6,8H2,1H3,(H,18,20,21)/t10-/m0/s1.
What are the key properties of 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide?
4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide has a molecular weight of 350.90 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4S)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioyl]benzamide is sourced from PubChem (CID 7188888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).