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

C13H18N4OS — CID 71929291

IUPAC1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCn1cc(C2OCCC2CNCc2cscn2)cn1
InChIInChI=1S/C13H18N4OS/c1-17-7-11(5-16-17)13-10(2-3-18-13)4-14-6-12-8-19-9-15-12/h5,7-10,13-14H,2-4,6H2,1H3
InChIKeyGCCSGSNBCQKYOG-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.74
Rot. Bonds5

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

1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 71929291) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID71929291
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESCn1cc(C2OCCC2CNCc2cscn2)cn1
InChIInChI=1S/C13H18N4OS/c1-17-7-11(5-16-17)13-10(2-3-18-13)4-14-6-12-8-19-9-15-12/h5,7-10,13-14H,2-4,6H2,1H3
InChIKeyGCCSGSNBCQKYOG-UHFFFAOYSA-N
XLogP1.74
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.74
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-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 71929291) is 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine is Cn1cc(C2OCCC2CNCc2cscn2)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is GCCSGSNBCQKYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-17-7-11(5-16-17)13-10(2-3-18-13)4-14-6-12-8-19-9-15-12/h5,7-10,13-14H,2-4,6H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 278.38 g/mol, XLogP of 1.74, 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-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 71929291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).