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

C16H22N4OS — CID 128991510

IUPAC(2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1c([C@H]2OCC[C@@H]2NCc2csc(C3CC3)n2)cnn1C
InChIInChI=1S/C16H22N4OS/c1-10-13(8-18-20(10)2)15-14(5-6-21-15)17-7-12-9-22-16(19-12)11-3-4-11/h8-9,11,14-15,17H,3-7H2,1-2H3/t14-,15+/m0/s1
InChIKeyLCEPUTPPHWWSGI-LSDHHAIUSA-N
MW318.45 g/mol
LogP2.68
Rot. Bonds5

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

(2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 128991510) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID128991510
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name(2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1c([C@H]2OCC[C@@H]2NCc2csc(C3CC3)n2)cnn1C
InChIInChI=1S/C16H22N4OS/c1-10-13(8-18-20(10)2)15-14(5-6-21-15)17-7-12-9-22-16(19-12)11-3-4-11/h8-9,11,14-15,17H,3-7H2,1-2H3/t14-,15+/m0/s1
InChIKeyLCEPUTPPHWWSGI-LSDHHAIUSA-N
XLogP2.68
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine (CID 128991510) is (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine is Cc1c([C@H]2OCC[C@@H]2NCc2csc(C3CC3)n2)cnn1C.
What is the InChIKey of (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is LCEPUTPPHWWSGI-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-13(8-18-20(10)2)15-14(5-6-21-15)17-7-12-9-22-16(19-12)11-3-4-11/h8-9,11,14-15,17H,3-7H2,1-2H3/t14-,15+/m0/s1.
What are the key properties of (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine?
(2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 318.45 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-2-(1,5-dimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 128991510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).