1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

C14H20N4OS — CID 71929077

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCn1cc(C2OCCC2CNCc2cscn2)cn1
InChIInChI=1S/C14H20N4OS/c1-2-18-8-12(6-17-18)14-11(3-4-19-14)5-15-7-13-9-20-10-16-13/h6,8-11,14-15H,2-5,7H2,1H3
InChIKeyDNWXXPHVNVWSOM-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.23
Rot. Bonds6

About 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine

1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 71929077) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID71929077
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCCn1cc(C2OCCC2CNCc2cscn2)cn1
InChIInChI=1S/C14H20N4OS/c1-2-18-8-12(6-17-18)14-11(3-4-19-14)5-15-7-13-9-20-10-16-13/h6,8-11,14-15H,2-5,7H2,1H3
InChIKeyDNWXXPHVNVWSOM-UHFFFAOYSA-N
XLogP2.23
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 71929077) is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is CCn1cc(C2OCCC2CNCc2cscn2)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is DNWXXPHVNVWSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-2-18-8-12(6-17-18)14-11(3-4-19-14)5-15-7-13-9-20-10-16-13/h6,8-11,14-15H,2-5,7H2,1H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 292.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 71929077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).