N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H20N4O2S — CID 128974280

IUPACN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cs1
InChIInChI=1S/C15H20N4O2S/c1-9-12(7-16-19(9)3)15-13(4-5-21-15)18-14(20)6-11-8-22-10(2)17-11/h7-8,13,15H,4-6H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyOMOAYIOKMKBUQN-DZGCQCFKSA-N
MW320.42 g/mol
LogP1.68
Rot. Bonds4

About N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 128974280) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID128974280
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC NameN-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cs1
InChIInChI=1S/C15H20N4O2S/c1-9-12(7-16-19(9)3)15-13(4-5-21-15)18-14(20)6-11-8-22-10(2)17-11/h7-8,13,15H,4-6H2,1-3H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyOMOAYIOKMKBUQN-DZGCQCFKSA-N
XLogP1.68
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 128974280) is N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)N[C@H]2CCO[C@@H]2c2cnn(C)c2C)cs1.
What is the InChIKey of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is OMOAYIOKMKBUQN-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9-12(7-16-19(9)3)15-13(4-5-21-15)18-14(20)6-11-8-22-10(2)17-11/h7-8,13,15H,4-6H2,1-3H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 320.42 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 128974280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).