2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

C14H21N3OS — CID 114678636

IUPAC2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-8-6-10(3)16-14(12(8)13(15)19)17-5-4-11(18)9(2)7-17/h6,9,11,18H,4-5,7H2,1-3H3,(H2,15,19)
InChIKeyZYVLNACISSORAZ-UHFFFAOYSA-N
MW279.41 g/mol
LogP1.54
Rot. Bonds2

About 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide

2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (PubChem CID 114678636) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
PubChem CID114678636
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(C)c(C(N)=S)c(N2CCC(O)C(C)C2)n1
InChIInChI=1S/C14H21N3OS/c1-8-6-10(3)16-14(12(8)13(15)19)17-5-4-11(18)9(2)7-17/h6,9,11,18H,4-5,7H2,1-3H3,(H2,15,19)
InChIKeyZYVLNACISSORAZ-UHFFFAOYSA-N
XLogP1.54
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 51.54
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-(3-methoxy-4-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 102957969
2-(3-methoxypyrrolidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 103533634
1-[3-(aminomethyl)-4,6-dimethyl-2-pyridinyl]-3-methylpiperidin-4-ol
CID 114677807
2-(4,4-dimethylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62930076
2-[4-(methoxymethyl)piperidin-1-yl]-4,6-dimethylpyridine-3-carbothioamide
CID 63977859
4,6-dimethyl-2-(2-methylpiperidin-1-yl)pyridine-3-carbothioamide
CID 61177475
2-(4-ethylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 61177677
2-(4-hydroxy-4-methylazepan-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 107404636
2-(4-butan-2-ylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbothioamide
CID 62776397
4,6-dimethyl-2-(4-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 61175005
methyl 1-(3-carbamoyl-4,6-dimethyl-2-pyridinyl)pyrrolidine-3-carboxylate
CID 112731118
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4,6-dimethylpyridine-3-carboximidamide
CID 61177113

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide (CID 114678636) is 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is Cc1cc(C)c(C(N)=S)c(N2CCC(O)C(C)C2)n1.
What is the InChIKey of 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
The InChIKey is ZYVLNACISSORAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-8-6-10(3)16-14(12(8)13(15)19)17-5-4-11(18)9(2)7-17/h6,9,11,18H,4-5,7H2,1-3H3,(H2,15,19).
What are the key properties of 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide?
2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide has a molecular weight of 279.41 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methylpiperidin-1-yl)-4,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 114678636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).