1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

C14H20N4OS — CID 71929300

IUPAC1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C14H20N4OS/c1-10-13(20-9-16-10)7-15-5-11-3-4-19-14(11)12-6-17-18(2)8-12/h6,8-9,11,14-15H,3-5,7H2,1-2H3
InChIKeyWVEFPYHBFFUAGY-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.05
Rot. Bonds5

About 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine

1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 71929300) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID71929300
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1ncsc1CNCC1CCOC1c1cnn(C)c1
InChIInChI=1S/C14H20N4OS/c1-10-13(20-9-16-10)7-15-5-11-3-4-19-14(11)12-6-17-18(2)8-12/h6,8-9,11,14-15H,3-5,7H2,1-2H3
InChIKeyWVEFPYHBFFUAGY-UHFFFAOYSA-N
XLogP2.05
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine (CID 71929300) is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is Cc1ncsc1CNCC1CCOC1c1cnn(C)c1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is WVEFPYHBFFUAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-10-13(20-9-16-10)7-15-5-11-3-4-19-14(11)12-6-17-18(2)8-12/h6,8-9,11,14-15H,3-5,7H2,1-2H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine?
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 292.41 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 71929300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).