6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide

C10H10N4OS2 — CID 106381516

IUPAC6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCc2csc(=O)[nH]2)nc1
InChIInChI=1S/C10H10N4OS2/c11-9(16)6-1-2-8(12-3-6)13-4-7-5-17-10(15)14-7/h1-3,5H,4H2,(H2,11,16)(H,12,13)(H,14,15)
InChIKeyMSIORPPSNDVFTJ-UHFFFAOYSA-N
MW266.35 g/mol
LogP1.08
Rot. Bonds4

About 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide

6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide (PubChem CID 106381516) has the molecular formula C10H10N4OS2 and a molecular weight of 266.35 g/mol. Its IUPAC name is 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
PubChem CID106381516
Molecular FormulaC10H10N4OS2
Molecular Weight266.35 g/mol
Exact Mass266.03
IUPAC Name6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide
SMILESNC(=S)c1ccc(NCc2csc(=O)[nH]2)nc1
InChIInChI=1S/C10H10N4OS2/c11-9(16)6-1-2-8(12-3-6)13-4-7-5-17-10(15)14-7/h1-3,5H,4H2,(H2,11,16)(H,12,13)(H,14,15)
InChIKeyMSIORPPSNDVFTJ-UHFFFAOYSA-N
XLogP1.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 106381505
2-(4-carbamothioylphenoxy)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]acetamide
CID 106381452
4-[[(6-methylpyridazin-3-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106381976
4-bromo-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzenecarbothioamide
CID 114181500
2-amino-5-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-4-carboxamide
CID 114195561
6-[(4-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 24695549
6-[(2-methylphenyl)methylamino]pyridine-3-carbothioamide
CID 54944875
3-amino-2,2-dimethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-3-sulfanylidenepropanamide
CID 106381454
3-amino-2-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]benzamide
CID 106383250
4-[[(6-chloro-2-pyridinyl)amino]methyl]-3H-1,3-thiazol-2-one
CID 106383027
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 106383121
6-(quinolin-8-ylmethylamino)pyridine-3-carbothioamide
CID 81426768

Frequently Asked Questions

What is the IUPAC name of 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide?
The IUPAC name of 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide (CID 106381516) is 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide?
The canonical SMILES for 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide is NC(=S)c1ccc(NCc2csc(=O)[nH]2)nc1.
What is the InChIKey of 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide?
The InChIKey is MSIORPPSNDVFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS2/c11-9(16)6-1-2-8(12-3-6)13-4-7-5-17-10(15)14-7/h1-3,5H,4H2,(H2,11,16)(H,12,13)(H,14,15).
What are the key properties of 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide?
6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide has a molecular weight of 266.35 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-oxo-3H-1,3-thiazol-4-yl)methylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 106381516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).