5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide

C14H15N3OS2 — CID 63748666

IUPAC5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H15N3OS2/c1-9(6-10-4-5-20-8-10)17-14(18)12-3-2-11(7-16-12)13(15)19/h2-5,7-9H,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyWPFJBHGCLWCZLU-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.14
Rot. Bonds5

About 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide

5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide (PubChem CID 63748666) has the molecular formula C14H15N3OS2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
PubChem CID63748666
Molecular FormulaC14H15N3OS2
Molecular Weight305.43 g/mol
Exact Mass305.07
IUPAC Name5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
SMILESCC(Cc1ccsc1)NC(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C14H15N3OS2/c1-9(6-10-4-5-20-8-10)17-14(18)12-3-2-11(7-16-12)13(15)19/h2-5,7-9H,6H2,1H3,(H2,15,19)(H,17,18)
InChIKeyWPFJBHGCLWCZLU-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(1-thiophen-3-ylpropan-2-ylcarbamoyl)pyridine-3-carboxylic acid
CID 61151193
5-carbamothioyl-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113472815
5-(methylamino)-N-(1-thiophen-3-ylpropan-2-yl)pyrazine-2-carboxamide
CID 107375175
5-carbamothioyl-N-heptan-2-ylpyridine-2-carboxamide
CID 63750456
4-amino-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 62186482
1-thiophen-3-ylpropan-2-ylthiourea
CID 61473973
N-(1-amino-3-methyl-1-oxobutan-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 106345629
2,6-dichloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 61150801
2-amino-5-chloro-N-(1-thiophen-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 114923012
6-bromo-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide
CID 103889839
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
4-(ethylamino)-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 62177548

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide (CID 63748666) is 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide is CC(Cc1ccsc1)NC(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
The InChIKey is WPFJBHGCLWCZLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS2/c1-9(6-10-4-5-20-8-10)17-14(18)12-3-2-11(7-16-12)13(15)19/h2-5,7-9H,6H2,1H3,(H2,15,19)(H,17,18).
What are the key properties of 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide?
5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide has a molecular weight of 305.43 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(1-thiophen-3-ylpropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 63748666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).