5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide

C14H15N3OS2 — CID 106010055

IUPAC5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(C(N)=S)cn2)s1
InChIInChI=1S/C14H15N3OS2/c1-2-10-4-5-11(20-10)8-17-14(18)12-6-3-9(7-16-12)13(15)19/h3-7H,2,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyOGTVBKABPCTWIN-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.27
Rot. Bonds5

About 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide

5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 106010055) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
PubChem CID106010055
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide
SMILESCCc1ccc(CNC(=O)c2ccc(C(N)=S)cn2)s1
InChIInChI=1S/C14H15N3OS2/c1-2-10-4-5-11(20-10)8-17-14(18)12-6-3-9(7-16-12)13(15)19/h3-7H,2,8H2,1H3,(H2,15,19)(H,17,18)
InChIKeyOGTVBKABPCTWIN-UHFFFAOYSA-N
XLogP2.27
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide 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

5-carbamothioyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 63749387
5-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-2-carboxamide
CID 106372341
5-carbamothioyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 63749206
5-carbamothioyl-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 63748833
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyridine-2-carboxamide
CID 106035328
5-carbamothioyl-N-(3-methylpentan-3-yl)pyridine-2-carboxamide
CID 106329081
5-carbamothioyl-N-[(3,4-difluorophenyl)methyl]pyridine-2-carboxamide
CID 63749197
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
5-carbamothioyl-N-(2-ethylhexyl)pyridine-2-carboxamide
CID 107815245
N-[(5-ethylthiophen-2-yl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 46475867

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide (CID 106010055) is 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide is CCc1ccc(CNC(=O)c2ccc(C(N)=S)cn2)s1.
What is the InChIKey of 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is OGTVBKABPCTWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-2-10-4-5-11(20-10)8-17-14(18)12-6-3-9(7-16-12)13(15)19/h3-7H,2,8H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide?
5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-[(5-ethylthiophen-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 106010055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).