[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

C15H19N5O2S — CID 95847389

IUPAC[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCCNc1cc([C@@H]2CCN2C(=O)c2cscn2)nc(C)n1
InChIInChI=1S/C15H19N5O2S/c1-10-18-11(7-14(19-10)16-4-6-22-2)13-3-5-20(13)15(21)12-8-23-9-17-12/h7-9,13H,3-6H2,1-2H3,(H,16,18,19)/t13-/m0/s1
InChIKeySUJDMEPQXHPAIS-ZDUSSCGKSA-N
MW333.42 g/mol
LogP1.89
Rot. Bonds6

About [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 95847389) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID95847389
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCOCCNc1cc([C@@H]2CCN2C(=O)c2cscn2)nc(C)n1
InChIInChI=1S/C15H19N5O2S/c1-10-18-11(7-14(19-10)16-4-6-22-2)13-3-5-20(13)15(21)12-8-23-9-17-12/h7-9,13H,3-6H2,1-2H3,(H,16,18,19)/t13-/m0/s1
InChIKeySUJDMEPQXHPAIS-ZDUSSCGKSA-N
XLogP1.89
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 95847389) is [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is COCCNc1cc([C@@H]2CCN2C(=O)c2cscn2)nc(C)n1.
What is the InChIKey of [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is SUJDMEPQXHPAIS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-10-18-11(7-14(19-10)16-4-6-22-2)13-3-5-20(13)15(21)12-8-23-9-17-12/h7-9,13H,3-6H2,1-2H3,(H,16,18,19)/t13-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 333.42 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]azetidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 95847389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).