2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide

C14H21N3OS — CID 114767900

IUPAC2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-9-6-10(13(15)19)7-12(16-9)17-11-4-5-18-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyZPVPGGCOYJVGQM-UHFFFAOYSA-N
MW279.41 g/mol
LogP2.39
Rot. Bonds3

About 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide

2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767900) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767900
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(NC2CCOC(C)(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-9-6-10(13(15)19)7-12(16-9)17-11-4-5-18-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H2,15,19)(H,16,17)
InChIKeyZPVPGGCOYJVGQM-UHFFFAOYSA-N
XLogP2.39
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-3-carbothioamide
CID 83029228
N-(2,2-dimethyloxan-4-yl)-6-methylpyridin-2-amine
CID 83028574
2-methyl-6-[(1-oxothian-4-yl)amino]pyridine-4-carbothioamide
CID 114767979
2-[(2,2-dimethyloxan-4-yl)amino]-5-methylbenzenecarbothioamide
CID 107929208
6-[(2,2-dimethyloxan-4-yl)amino]pyridine-3-carboxamide
CID 113336597
4-N-(2,2-dimethyloxan-4-yl)-6-hydrazinylpyrimidine-2,4-diamine
CID 83039065
2-methyl-6-[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]pyridine-4-carbothioamide
CID 114767729
6-N-(2,2-dimethyloxan-4-yl)pyridine-2,6-diamine
CID 83040213
4-N-(2,2-dimethyloxan-4-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 83040002
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
CID 83040106
6-N-(2,2-dimethyloxan-4-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102719095

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide (CID 114767900) is 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(NC2CCOC(C)(C)C2)n1.
What is the InChIKey of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is ZPVPGGCOYJVGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-6-10(13(15)19)7-12(16-9)17-11-4-5-18-14(2,3)8-11/h6-7,11H,4-5,8H2,1-3H3,(H2,15,19)(H,16,17).
What are the key properties of 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide?
2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyloxan-4-yl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).