2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide

C16H22N4OS2 — CID 118766874

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCCc2scnc2C)n1
InChIInChI=1S/C16H22N4OS2/c1-10-8-11(2)20-16(19-10)23-13(4)15(21)17-7-5-6-14-12(3)18-9-22-14/h8-9,13H,5-7H2,1-4H3,(H,17,21)
InChIKeyCUBPHOHNLGXJDD-UHFFFAOYSA-N
MW350.51 g/mol
LogP3.09
Rot. Bonds7

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide (PubChem CID 118766874) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
PubChem CID118766874
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)NCCCc2scnc2C)n1
InChIInChI=1S/C16H22N4OS2/c1-10-8-11(2)20-16(19-10)23-13(4)15(21)17-7-5-6-14-12(3)18-9-22-14/h8-9,13H,5-7H2,1-4H3,(H,17,21)
InChIKeyCUBPHOHNLGXJDD-UHFFFAOYSA-N
XLogP3.09
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 118767272
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70707512
(2S)-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-phenylpropanamide
CID 976741
N-butyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylpropanamide
CID 60718365
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 90653038
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 47145388
(2S)-2-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpropanamide
CID 96510593
(2S)-2-hydroxy-4-methylsulfanyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]butanamide
CID 99972824
(2R)-2-hydroxy-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 130609015
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
(2S)-N-(3-acetamidophenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylpropanamide
CID 41417263
3-(4-methoxyphenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-5-carboxamide
CID 70773903

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide (CID 118766874) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide is Cc1cc(C)nc(SC(C)C(=O)NCCCc2scnc2C)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
The InChIKey is CUBPHOHNLGXJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-10-8-11(2)20-16(19-10)23-13(4)15(21)17-7-5-6-14-12(3)18-9-22-14/h8-9,13H,5-7H2,1-4H3,(H,17,21).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide has a molecular weight of 350.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]propanamide is sourced from PubChem (CID 118766874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).