2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide

C15H14N4S2 — CID 114767063

IUPAC2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
SMILESCc1ccc2nc(Nc3cc(C(N)=S)cc(C)n3)sc2c1
InChIInChI=1S/C15H14N4S2/c1-8-3-4-11-12(5-8)21-15(18-11)19-13-7-10(14(16)20)6-9(2)17-13/h3-7H,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyWBAIJRDJMHJCLA-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.69
Rot. Bonds3

About 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide

2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide (PubChem CID 114767063) has the molecular formula C15H14N4S2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
PubChem CID114767063
Molecular FormulaC15H14N4S2
Molecular Weight314.44 g/mol
Exact Mass314.07
IUPAC Name2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide
SMILESCc1ccc2nc(Nc3cc(C(N)=S)cc(C)n3)sc2c1
InChIInChI=1S/C15H14N4S2/c1-8-3-4-11-12(5-8)21-15(18-11)19-13-7-10(14(16)20)6-9(2)17-13/h3-7H,1-2H3,(H2,16,20)(H,17,18,19)
InChIKeyWBAIJRDJMHJCLA-UHFFFAOYSA-N
XLogP3.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.69
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

3-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 107107696
6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
2-methyl-6-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)pyridine-4-carbothioamide
CID 114767423
2-chloro-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzenecarbothioamide
CID 62501593
1,3-dimethyl-5-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyrazole-4-carbothioamide
CID 63758053
2-[(6-chloro-1,3-benzothiazol-2-yl)amino]-4-methylbenzenecarbothioamide
CID 63515168
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
N-(6-chloro-2-pyridinyl)-6-methyl-1,3-benzothiazol-2-amine
CID 87379371
N-(4-tert-butylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 79127962
2-(3,4-dimethylanilino)-6-methylpyridine-4-carbothioamide
CID 114767157
2-amino-3-[(6-methyl-1,3-benzothiazol-2-yl)amino]benzamide
CID 115544304

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide (CID 114767063) is 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide is Cc1ccc2nc(Nc3cc(C(N)=S)cc(C)n3)sc2c1.
What is the InChIKey of 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide?
The InChIKey is WBAIJRDJMHJCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S2/c1-8-3-4-11-12(5-8)21-15(18-11)19-13-7-10(14(16)20)6-9(2)17-13/h3-7H,1-2H3,(H2,16,20)(H,17,18,19).
What are the key properties of 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide?
2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide has a molecular weight of 314.44 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).