4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide

C14H18N4OS — CID 106372577

IUPAC4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCc2nc(C)c(C)o2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H18N4OS/c1-7-5-11(13(14(15)20)9(3)17-7)16-6-12-18-8(2)10(4)19-12/h5H,6H2,1-4H3,(H2,15,20)(H,16,17)
InChIKeyJDHRUWCMLUBCEI-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.55
Rot. Bonds4

About 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide

4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide (PubChem CID 106372577) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide.

Molecular Properties

Compound Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
PubChem CID106372577
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
SMILESCc1cc(NCc2nc(C)c(C)o2)c(C(N)=S)c(C)n1
InChIInChI=1S/C14H18N4OS/c1-7-5-11(13(14(15)20)9(3)17-7)16-6-12-18-8(2)10(4)19-12/h5H,6H2,1-4H3,(H2,15,20)(H,16,17)
InChIKeyJDHRUWCMLUBCEI-UHFFFAOYSA-N
XLogP2.55
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(ethylamino)-2,6-dimethylpyridine-3-carbothioamide
CID 81060050
4-[(5-bromothiophen-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide
CID 81054915
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]pyridine-2-carbothioamide
CID 106372601
2,6-dimethyl-4-(2-methylbutylamino)pyridine-3-carbothioamide
CID 81054421
2,6-dimethyl-4-(pyridazin-3-ylmethylamino)pyridine-3-carbothioamide
CID 106896306
2,6-dimethyl-4-(oxolan-2-ylmethylamino)pyridine-3-carbothioamide
CID 81061188
3,6-dichloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridazin-4-amine
CID 106374028
2,6-dimethyl-4-(3-methylsulfanylpropylamino)pyridine-3-carbothioamide
CID 81053938
2,6-dimethyl-4-(pyridin-3-ylmethylamino)pyridine-3-carbothioamide
CID 81053983
2,6-dimethyl-4-(2-methylpentan-2-ylamino)pyridine-3-carbothioamide
CID 113471759
2,6-dimethyl-4-[(2-methyl-3-methylsulfanylpropyl)amino]pyridine-3-carbothioamide
CID 81053939
2,6-dimethyl-4-(2-phenylpropylamino)pyridine-3-carbothioamide
CID 104591581

Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The IUPAC name of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide (CID 106372577) is 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide.
What is the SMILES notation for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The canonical SMILES for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide is Cc1cc(NCc2nc(C)c(C)o2)c(C(N)=S)c(C)n1.
What is the InChIKey of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
The InChIKey is JDHRUWCMLUBCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-7-5-11(13(14(15)20)9(3)17-7)16-6-12-18-8(2)10(4)19-12/h5H,6H2,1-4H3,(H2,15,20)(H,16,17).
What are the key properties of 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide?
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide has a molecular weight of 290.39 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2,6-dimethylpyridine-3-carbothioamide is sourced from PubChem (CID 106372577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).