5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C9H14N2OS — CID 131065715

IUPAC5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2CCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyZBLMZJWRPNSWKX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.91
Rot. Bonds3

About 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 131065715) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID131065715
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCCc1cnc(NC2CCOC2)s1
InChIInChI=1S/C9H14N2OS/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11)
InChIKeyZBLMZJWRPNSWKX-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 131065715) is 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is CCc1cnc(NC2CCOC2)s1.
What is the InChIKey of 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is ZBLMZJWRPNSWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8-5-10-9(13-8)11-7-3-4-12-6-7/h5,7H,2-4,6H2,1H3,(H,10,11).
What are the key properties of 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 131065715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).