2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide

C17H25N3S — CID 114767729

IUPAC2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C17H25N3S/c1-10-7-11(14(18)21)8-13(19-10)20-15-16(2,3)12-5-6-17(15,4)9-12/h7-8,12,15H,5-6,9H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyYCAHNETUEWDOCO-UHFFFAOYSA-N
MW303.48 g/mol
LogP3.65
Rot. Bonds3

About 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide

2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide (PubChem CID 114767729) has the molecular formula C17H25N3S and a molecular weight of 303.48 g/mol. Its IUPAC name is 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide.

Molecular Properties

Compound Name2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
PubChem CID114767729
Molecular FormulaC17H25N3S
Molecular Weight303.48 g/mol
Exact Mass303.18
IUPAC Name2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2C3(C)CCC(C3)C2(C)C)n1
InChIInChI=1S/C17H25N3S/c1-10-7-11(14(18)21)8-13(19-10)20-15-16(2,3)12-5-6-17(15,4)9-12/h7-8,12,15H,5-6,9H2,1-4H3,(H2,18,21)(H,19,20)
InChIKeyYCAHNETUEWDOCO-UHFFFAOYSA-N
XLogP3.65
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-2-carbothioamide
CID 64596471
3-bromo-4-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]benzenecarbothioamide
CID 82787613
6-hydrazinyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4-diamine
CID 80917975
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
CID 114767900
6-N-ethyl-4-N-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 80824334
2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-chloro-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbonitrile
CID 83077251
2-(1-adamantylamino)-6-methylpyridine-4-carbothioamide
CID 114767043
2-fluoro-5-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400531
2-methyl-3-[[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]benzamide
CID 115400523
2-[(2-methoxycyclopentyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767568

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide?
The IUPAC name of 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide (CID 114767729) is 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide.
What is the SMILES notation for 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide?
The canonical SMILES for 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC2C3(C)CCC(C3)C2(C)C)n1.
What is the InChIKey of 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide?
The InChIKey is YCAHNETUEWDOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3S/c1-10-7-11(14(18)21)8-13(19-10)20-15-16(2,3)12-5-6-17(15,4)9-12/h7-8,12,15H,5-6,9H2,1-4H3,(H2,18,21)(H,19,20).
What are the key properties of 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide?
2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide has a molecular weight of 303.48 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide is sourced from PubChem (CID 114767729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).