(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

C18H14F2N2S3 — CID 92547546

IUPAC(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESFc1ccc(NC(=S)N2CCc3sccc3[C@H]2c2cccs2)c(F)c1
InChIInChI=1S/C18H14F2N2S3/c19-11-3-4-14(13(20)10-11)21-18(23)22-7-5-15-12(6-9-25-15)17(22)16-2-1-8-24-16/h1-4,6,8-10,17H,5,7H2,(H,21,23)/t17-/m0/s1
InChIKeyCLVDLUUTUXSLJJ-KRWDZBQOSA-N
MW392.52 g/mol
LogP5.43
Rot. Bonds2

About (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide

(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 92547546) has the molecular formula C18H14F2N2S3 and a molecular weight of 392.52 g/mol. Its IUPAC name is (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID92547546
Molecular FormulaC18H14F2N2S3
Molecular Weight392.52 g/mol
Exact Mass392.03
IUPAC Name(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESFc1ccc(NC(=S)N2CCc3sccc3[C@H]2c2cccs2)c(F)c1
InChIInChI=1S/C18H14F2N2S3/c19-11-3-4-14(13(20)10-11)21-18(23)22-7-5-15-12(6-9-25-15)17(22)16-2-1-8-24-16/h1-4,6,8-10,17H,5,7H2,(H,21,23)/t17-/m0/s1
InChIKeyCLVDLUUTUXSLJJ-KRWDZBQOSA-N
XLogP5.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-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

(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 92547547
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
N-(4-chloro-2-fluorophenyl)-3-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propanamide
CID 55482541
2-(4-fluorophenoxy)-2-methyl-1-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]propan-1-one
CID 51858379
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 11936885
N-(3-fluorophenyl)-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]acetamide
CID 9129014
2-(3-fluoro-4-methoxyphenyl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 18272103
2-(4-bromo-2-fluorophenoxy)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 46664905
(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(2,4-difluorophenyl)-[(4S)-4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 41130082

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 92547546) is (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is Fc1ccc(NC(=S)N2CCc3sccc3[C@H]2c2cccs2)c(F)c1.
What is the InChIKey of (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is CLVDLUUTUXSLJJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H14F2N2S3/c19-11-3-4-14(13(20)10-11)21-18(23)22-7-5-15-12(6-9-25-15)17(22)16-2-1-8-24-16/h1-4,6,8-10,17H,5,7H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 392.52 g/mol, XLogP of 5.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 92547546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).