4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide

C14H23N3S — CID 81054632

IUPAC4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCC(C)C(C)C)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H23N3S/c1-8(2)9(3)7-16-12-6-10(4)17-11(5)13(12)14(15)18/h6,8-9H,7H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyIVEYAFIAYWYFLB-UHFFFAOYSA-N
MW265.43 g/mol
LogP3.04
Rot. Bonds5

About 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide

4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 81054632) has the molecular formula C14H23N3S and a molecular weight of 265.43 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
PubChem CID81054632
Molecular FormulaC14H23N3S
Molecular Weight265.43 g/mol
Exact Mass265.16
IUPAC Name4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCC(C)C(C)C)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H23N3S/c1-8(2)9(3)7-16-12-6-10(4)17-11(5)13(12)14(15)18/h6,8-9H,7H2,1-5H3,(H2,15,18)(H,16,17)
InChIKeyIVEYAFIAYWYFLB-UHFFFAOYSA-N
XLogP3.04
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 53.04
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

2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
2,6-dimethyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carbothioamide
CID 81053939
4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
2,6-dimethyl-4-(2-phenylpropylamino)pyridine-3-carbothioamide
CID 104591581
4-[2-(dimethylamino)ethylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81060049
2,6-dimethyl-4-(octylamino)pyridine-3-carbothioamide
CID 115568255
2-(2,3-dimethylbutylamino)-6-methylpyrimidine-4-carbothioamide
CID 107547586
2,6-dimethyl-4-(3-methylsulfanylpropylamino)pyridine-3-carbothioamide
CID 81053938
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 106372577
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
CID 113471759
3-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 81050962
3-[(3-carbamothioyl-2,6-dimethyl-4-pyridinyl)amino]-3-methylbutanamide
CID 106096783

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide (CID 81054632) is 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(NCC(C)C(C)C)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is IVEYAFIAYWYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3S/c1-8(2)9(3)7-16-12-6-10(4)17-11(5)13(12)14(15)18/h6,8-9H,7H2,1-5H3,(H2,15,18)(H,16,17).
What are the key properties of 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide?
4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 265.43 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 81054632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).