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

C14H20N4OS — CID 129005026

IUPAC(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1csc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)n1
InChIInChI=1S/C14H20N4OS/c1-9-8-20-13(17-9)7-15-12-4-5-19-14(12)11-6-16-18(3)10(11)2/h6,8,12,14-15H,4-5,7H2,1-3H3/t12-,14+/m0/s1
InChIKeyTZADCPSDXZKVPY-GXTWGEPZSA-N
MW292.41 g/mol
LogP2.11
Rot. Bonds4

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

(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine (PubChem CID 129005026) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
PubChem CID129005026
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine
SMILESCc1csc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)n1
InChIInChI=1S/C14H20N4OS/c1-9-8-20-13(17-9)7-15-12-4-5-19-14(12)11-6-16-18(3)10(11)2/h6,8,12,14-15H,4-5,7H2,1-3H3/t12-,14+/m0/s1
InChIKeyTZADCPSDXZKVPY-GXTWGEPZSA-N
XLogP2.11
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The IUPAC name of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine (CID 129005026) is (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The canonical SMILES for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine is Cc1csc(CN[C@H]2CCO[C@@H]2c2cnn(C)c2C)n1.
What is the InChIKey of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
The InChIKey is TZADCPSDXZKVPY-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-8-20-13(17-9)7-15-12-4-5-19-14(12)11-6-16-18(3)10(11)2/h6,8,12,14-15H,4-5,7H2,1-3H3/t12-,14+/m0/s1.
What are the key properties of (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine?
(2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine has a molecular weight of 292.41 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1,5-dimethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxolan-3-amine is sourced from PubChem (CID 129005026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).