5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide

C11H15N3O2S — CID 55230597

IUPAC5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O2S/c1-7(15)6-14(2)11(16)9-4-3-8(5-13-9)10(12)17/h3-5,7,15H,6H2,1-2H3,(H2,12,17)
InChIKeyBABIFZHUYIZCKH-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.17
Rot. Bonds4

About 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide

5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide (PubChem CID 55230597) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
PubChem CID55230597
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide
SMILESCC(O)CN(C)C(=O)c1ccc(C(N)=S)cn1
InChIInChI=1S/C11H15N3O2S/c1-7(15)6-14(2)11(16)9-4-3-8(5-13-9)10(12)17/h3-5,7,15H,6H2,1-2H3,(H2,12,17)
InChIKeyBABIFZHUYIZCKH-UHFFFAOYSA-N
XLogP0.17
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.17
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

4-carbamothioyl-N-(2-hydroxypropyl)-N-methylbenzamide
CID 62336591
5-carbamothioyl-N-(3-hydroxypropyl)-N-methylpyridine-2-carboxamide
CID 114230215
5-carbamothioyl-N-methyl-N-(2-methylsulfonylethyl)pyridine-2-carboxamide
CID 79859087
methyl 3-[(5-carbamothioylpyridine-2-carbonyl)-methylamino]propanoate
CID 63749737
5-carbamothioyl-N-(1-methoxypropan-2-yl)-N-methylpyridine-2-carboxamide
CID 63749552
5-carbamothioyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]pyridine-2-carboxamide
CID 103110414
5-carbamothioyl-N-methyl-N-pyridin-2-ylpyridine-2-carboxamide
CID 63723408
5-carbamothioyl-N-(7-methyloctyl)pyridine-2-carboxamide
CID 107815227
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-(3-hydroxyphenyl)-N-methylpyridine-2-carboxamide
CID 107735324
N-(2-hydroxypropyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 62334561
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide (CID 55230597) is 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide is CC(O)CN(C)C(=O)c1ccc(C(N)=S)cn1.
What is the InChIKey of 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is BABIFZHUYIZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-7(15)6-14(2)11(16)9-4-3-8(5-13-9)10(12)17/h3-5,7,15H,6H2,1-2H3,(H2,12,17).
What are the key properties of 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide?
5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 253.33 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(2-hydroxypropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 55230597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).