5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide

C13H14N4OS2 — CID 106035388

IUPAC5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(C(N)=S)cn2)cs1
InChIInChI=1S/C13H14N4OS2/c1-8-17-10(7-20-8)4-5-15-13(18)11-3-2-9(6-16-11)12(14)19/h2-3,6-7H,4-5H2,1H3,(H2,14,19)(H,15,18)
InChIKeyOFFAPFQVHSBLHL-UHFFFAOYSA-N
MW306.42 g/mol
LogP1.45
Rot. Bonds5

About 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide

5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (PubChem CID 106035388) has the molecular formula C13H14N4OS2 and a molecular weight of 306.42 g/mol. Its IUPAC name is 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
PubChem CID106035388
Molecular FormulaC13H14N4OS2
Molecular Weight306.42 g/mol
Exact Mass306.06
IUPAC Name5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
SMILESCc1nc(CCNC(=O)c2ccc(C(N)=S)cn2)cs1
InChIInChI=1S/C13H14N4OS2/c1-8-17-10(7-20-8)4-5-15-13(18)11-3-2-9(6-16-11)12(14)19/h2-3,6-7H,4-5H2,1H3,(H2,14,19)(H,15,18)
InChIKeyOFFAPFQVHSBLHL-UHFFFAOYSA-N
XLogP1.45
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.42
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-carbamothioylphenyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106035385
3-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 106035352
5-carbamothioyl-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 63724231
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
6-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 103790264
2-carbamothioyl-3-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanamide
CID 114139132
6-hydrazinyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazine-2-carboxamide
CID 106040179
5-carbamothioyl-N-[2-[ethyl(methyl)amino]ethyl]pyridine-2-carboxamide
CID 63749570
5-carbamothioyl-N-(7-methyloctyl)pyridine-2-carboxamide
CID 107815227
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 77059141
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

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide (CID 106035388) is 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is Cc1nc(CCNC(=O)c2ccc(C(N)=S)cn2)cs1.
What is the InChIKey of 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is OFFAPFQVHSBLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4OS2/c1-8-17-10(7-20-8)4-5-15-13(18)11-3-2-9(6-16-11)12(14)19/h2-3,6-7H,4-5H2,1H3,(H2,14,19)(H,15,18).
What are the key properties of 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide?
5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 306.42 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 106035388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).