4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

C13H16N4S2 — CID 106036173

IUPAC4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1nc(CCNc2nccc(C)c2C(N)=S)cs1
InChIInChI=1S/C13H16N4S2/c1-8-3-5-15-13(11(8)12(14)18)16-6-4-10-7-19-9(2)17-10/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyUDVKKHZAKYDYJJ-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.44
Rot. Bonds5

About 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide

4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (PubChem CID 106036173) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.

Molecular Properties

Compound Name4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
PubChem CID106036173
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
SMILESCc1nc(CCNc2nccc(C)c2C(N)=S)cs1
InChIInChI=1S/C13H16N4S2/c1-8-3-5-15-13(11(8)12(14)18)16-6-4-10-7-19-9(2)17-10/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16)
InChIKeyUDVKKHZAKYDYJJ-UHFFFAOYSA-N
XLogP2.44
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.44
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

6-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide
CID 106036160
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2,7-naphthyridin-1-amine
CID 166260063
4-methyl-2-(5,5,5-trifluoropentylamino)pyridine-3-carbothioamide
CID 115519906
5-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]benzenecarbothioamide
CID 106036205
2-[2-(2-methoxyphenyl)ethylamino]-4-methylpyridine-3-carbothioamide
CID 106261389
5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041870
2-(2,2-difluoroethylamino)-4-methylpyridine-3-carbothioamide
CID 115407203
5-amino-6-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-2-carboxamide
CID 106039404
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
2-N-ethyl-5-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
CID 106041717
5-carbamothioyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 106035388
5-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-3H-1,3,4-thiadiazole-2-thione
CID 106037867

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The IUPAC name of 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide (CID 106036173) is 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide.
What is the SMILES notation for 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The canonical SMILES for 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is Cc1nc(CCNc2nccc(C)c2C(N)=S)cs1.
What is the InChIKey of 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
The InChIKey is UDVKKHZAKYDYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-8-3-5-15-13(11(8)12(14)18)16-6-4-10-7-19-9(2)17-10/h3,5,7H,4,6H2,1-2H3,(H2,14,18)(H,15,16).
What are the key properties of 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide?
4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]pyridine-3-carbothioamide is sourced from PubChem (CID 106036173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).