6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide

C13H16N4S2 — CID 64589638

IUPAC6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide
SMILESCC(C)(C)c1csc(Nc2cccc(C(N)=S)n2)n1
InChIInChI=1S/C13H16N4S2/c1-13(2,3)9-7-19-12(16-9)17-10-6-4-5-8(15-10)11(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16,17)
InChIKeySYXZUCMNZUNEMM-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.21
Rot. Bonds3

About 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide

6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide (PubChem CID 64589638) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide.

Molecular Properties

Compound Name6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide
PubChem CID64589638
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide
SMILESCC(C)(C)c1csc(Nc2cccc(C(N)=S)n2)n1
InChIInChI=1S/C13H16N4S2/c1-13(2,3)9-7-19-12(16-9)17-10-6-4-5-8(15-10)11(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16,17)
InChIKeySYXZUCMNZUNEMM-UHFFFAOYSA-N
XLogP3.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyrazine-2-carboxamide
CID 170511217
2-N-(4-tert-butyl-1,3-thiazol-2-yl)-6-methylpyridine-2,5-diamine
CID 114049823
5-bromo-2-[(4-tert-butyl-1,3-thiazol-2-yl)amino]benzenecarbothioamide
CID 114891504
6-(thiophen-3-ylamino)pyridine-2-carbothioamide
CID 66354994
6-(ethylamino)pyridine-2-carbothioamide
CID 64587628
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-carbamothioylpyridine-2-carboxamide
CID 63749555
2-[4-[(4-tert-butyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 90824816
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-fluoropyridine-2-carboxamide
CID 113323542
6-[(4-bromothiophen-2-yl)methylamino]pyridine-2-carbothioamide
CID 64595488
6-(4-sulfamoylanilino)pyridine-2-carbothioamide
CID 64588424
6-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]pyridine-2-carbothioamide
CID 64588030
6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
CID 64588633

Frequently Asked Questions

What is the IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide?
The IUPAC name of 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide (CID 64589638) is 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide.
What is the SMILES notation for 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide?
The canonical SMILES for 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide is CC(C)(C)c1csc(Nc2cccc(C(N)=S)n2)n1.
What is the InChIKey of 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide?
The InChIKey is SYXZUCMNZUNEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-13(2,3)9-7-19-12(16-9)17-10-6-4-5-8(15-10)11(14)18/h4-7H,1-3H3,(H2,14,18)(H,15,16,17).
What are the key properties of 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide?
6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide has a molecular weight of 292.43 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-tert-butyl-1,3-thiazol-2-yl)amino]pyridine-2-carbothioamide is sourced from PubChem (CID 64589638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).