[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C16H20N4O2S — CID 129355086

IUPAC[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)nc(O[C@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3/t13-/m0/s1
InChIKeyDPSUHUSJHZMDFL-ZDUSSCGKSA-N
MW332.43 g/mol
LogP2.46
Rot. Bonds3

About [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 129355086) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID129355086
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1cc(C)nc(O[C@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1
InChIInChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3/t13-/m0/s1
InChIKeyDPSUHUSJHZMDFL-ZDUSSCGKSA-N
XLogP2.46
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 129355086) is [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1cc(C)nc(O[C@H]2CCN(C(=O)c3sc(C)nc3C)C2)n1.
What is the InChIKey of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is DPSUHUSJHZMDFL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-9-7-10(2)18-16(17-9)22-13-5-6-20(8-13)15(21)14-11(3)19-12(4)23-14/h7,13H,5-6,8H2,1-4H3/t13-/m0/s1.
What are the key properties of [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 332.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 129355086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).