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

C9H14N2OS — CID 130583609

IUPAC[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine
SMILESCc1nc(C2CCC(CN)O2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h5,7,9H,2-4,10H2,1H3
InChIKeyJHPLYGQSYVMNNP-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.63
Rot. Bonds2

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

[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine (PubChem CID 130583609) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine
PubChem CID130583609
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine
SMILESCc1nc(C2CCC(CN)O2)cs1
InChIInChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h5,7,9H,2-4,10H2,1H3
InChIKeyJHPLYGQSYVMNNP-UHFFFAOYSA-N
XLogP1.63
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine?
The IUPAC name of [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine (CID 130583609) is [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine is Cc1nc(C2CCC(CN)O2)cs1.
What is the InChIKey of [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine?
The InChIKey is JHPLYGQSYVMNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6-11-8(5-13-6)9-3-2-7(4-10)12-9/h5,7,9H,2-4,10H2,1H3.
What are the key properties of [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine?
[5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-1,3-thiazol-4-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 130583609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).