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

C15H16N2S3 — CID 92547547

IUPAC(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESS=C(NC1CC1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C15H16N2S3/c18-15(16-10-3-4-10)17-7-5-12-11(6-9-20-12)14(17)13-2-1-8-19-13/h1-2,6,8-10,14H,3-5,7H2,(H,16,18)/t14-/m1/s1
InChIKeyWPFXKKMYSNTDFH-CQSZACIVSA-N
MW320.51 g/mol
LogP3.79
Rot. Bonds2

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

(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (PubChem CID 92547547) has the molecular formula C15H16N2S3 and a molecular weight of 320.51 g/mol. Its IUPAC name is (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.

Molecular Properties

Compound Name(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
PubChem CID92547547
Molecular FormulaC15H16N2S3
Molecular Weight320.51 g/mol
Exact Mass320.05
IUPAC Name(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
SMILESS=C(NC1CC1)N1CCc2sccc2[C@@H]1c1cccs1
InChIInChI=1S/C15H16N2S3/c18-15(16-10-3-4-10)17-7-5-12-11(6-9-20-12)14(17)13-2-1-8-19-13/h1-2,6,8-10,14H,3-5,7H2,(H,16,18)/t14-/m1/s1
InChIKeyWPFXKKMYSNTDFH-CQSZACIVSA-N
XLogP3.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.51
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

(4S)-N-(2,4-difluorophenyl)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide
CID 92547546
(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
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
methyl 5-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)thiophene-2-carboxylate
CID 42942144
2-(4-methoxyphenoxy)-1-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 9074713
1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9075582
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576996
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-[4-[2-oxo-2-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethyl]phenyl]acetamide
CID 9075486
2-(3-hydroxypiperidin-1-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 47015675

Frequently Asked Questions

What is the IUPAC name of (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The IUPAC name of (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide (CID 92547547) is (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide.
What is the SMILES notation for (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The canonical SMILES for (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is S=C(NC1CC1)N1CCc2sccc2[C@@H]1c1cccs1.
What is the InChIKey of (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
The InChIKey is WPFXKKMYSNTDFH-CQSZACIVSA-N. The full InChI is InChI=1S/C15H16N2S3/c18-15(16-10-3-4-10)17-7-5-12-11(6-9-20-12)14(17)13-2-1-8-19-13/h1-2,6,8-10,14H,3-5,7H2,(H,16,18)/t14-/m1/s1.
What are the key properties of (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide?
(4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide has a molecular weight of 320.51 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-cyclopropyl-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbothioamide is sourced from PubChem (CID 92547547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).