6-tert-butyl-2-methylpyridine-3-carbothioamide

C11H16N2S — CID 82452175

IUPAC6-tert-butyl-2-methylpyridine-3-carbothioamide
SMILESCc1nc(C(C)(C)C)ccc1C(N)=S
InChIInChI=1S/C11H16N2S/c1-7-8(10(12)14)5-6-9(13-7)11(2,3)4/h5-6H,1-4H3,(H2,12,14)
InChIKeyZCKNECXHXVYNHV-UHFFFAOYSA-N
MW208.33 g/mol
LogP2.32
Rot. Bonds1

About 6-tert-butyl-2-methylpyridine-3-carbothioamide

6-tert-butyl-2-methylpyridine-3-carbothioamide (PubChem CID 82452175) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is 6-tert-butyl-2-methylpyridine-3-carbothioamide.

Molecular Properties

Compound Name6-tert-butyl-2-methylpyridine-3-carbothioamide
PubChem CID82452175
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name6-tert-butyl-2-methylpyridine-3-carbothioamide
SMILESCc1nc(C(C)(C)C)ccc1C(N)=S
InChIInChI=1S/C11H16N2S/c1-7-8(10(12)14)5-6-9(13-7)11(2,3)4/h5-6H,1-4H3,(H2,12,14)
InChIKeyZCKNECXHXVYNHV-UHFFFAOYSA-N
XLogP2.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butyl-2-(4-methylphenyl)pyridine-3-carboxamide
CID 175791192
2-tert-butyl-6,7-dimethylquinoline-4-carbothioamide
CID 82448781
6-tert-butyl-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
CID 121252343
3-bromo-6-tert-butyl-2-methylpyridine
CID 119091462
5-tert-butyl-2-methylbenzenecarbothioamide
CID 82077580
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
2,6-dimethylpyridine-3-carboxamide
CID 2824850
N-[(2S)-1-amino-1-oxopropan-2-yl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 97311248
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79874137
6-(trifluoromethyl)-2-(3,3,3-trifluoropropylamino)pyridine-3-carbothioamide
CID 79877179
2-(2,2-dimethylbutylamino)-6-methylpyridine-3-carbothioamide
CID 103461825
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877181

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-methylpyridine-3-carbothioamide?
The IUPAC name of 6-tert-butyl-2-methylpyridine-3-carbothioamide (CID 82452175) is 6-tert-butyl-2-methylpyridine-3-carbothioamide.
What is the SMILES notation for 6-tert-butyl-2-methylpyridine-3-carbothioamide?
The canonical SMILES for 6-tert-butyl-2-methylpyridine-3-carbothioamide is Cc1nc(C(C)(C)C)ccc1C(N)=S.
What is the InChIKey of 6-tert-butyl-2-methylpyridine-3-carbothioamide?
The InChIKey is ZCKNECXHXVYNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-8(10(12)14)5-6-9(13-7)11(2,3)4/h5-6H,1-4H3,(H2,12,14).
What are the key properties of 6-tert-butyl-2-methylpyridine-3-carbothioamide?
6-tert-butyl-2-methylpyridine-3-carbothioamide has a molecular weight of 208.33 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-methylpyridine-3-carbothioamide is sourced from PubChem (CID 82452175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).