2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

C12H14N4OS2 — CID 23772385

IUPAC2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2nccs2)n1
InChIInChI=1S/C12H14N4OS2/c1-7-6-8(2)15-12(14-7)19-9(3)10(17)16-11-13-4-5-18-11/h4-6,9H,1-3H3,(H,13,16,17)
InChIKeyGFDBITGALRXAQF-UHFFFAOYSA-N
MW294.41 g/mol
LogP2.67
Rot. Bonds4

About 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide

2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 23772385) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
PubChem CID23772385
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc(C)nc(SC(C)C(=O)Nc2nccs2)n1
InChIInChI=1S/C12H14N4OS2/c1-7-6-8(2)15-12(14-7)19-9(3)10(17)16-11-13-4-5-18-11/h4-6,9H,1-3H3,(H,13,16,17)
InChIKeyGFDBITGALRXAQF-UHFFFAOYSA-N
XLogP2.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide (CID 23772385) is 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide is Cc1cc(C)nc(SC(C)C(=O)Nc2nccs2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is GFDBITGALRXAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-6-8(2)15-12(14-7)19-9(3)10(17)16-11-13-4-5-18-11/h4-6,9H,1-3H3,(H,13,16,17).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide?
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 294.41 g/mol, XLogP of 2.67, 4 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-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 23772385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).