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

C10H16N2OS — CID 65020383

IUPAC3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
SMILESCc1ncsc1CCC1(N)CCOC1
InChIInChI=1S/C10H16N2OS/c1-8-9(14-7-12-8)2-3-10(11)4-5-13-6-10/h7H,2-6,11H2,1H3
InChIKeyMAVRFHPFSMWCHK-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.50
Rot. Bonds3

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

3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine (PubChem CID 65020383) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
PubChem CID65020383
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine
SMILESCc1ncsc1CCC1(N)CCOC1
InChIInChI=1S/C10H16N2OS/c1-8-9(14-7-12-8)2-3-10(11)4-5-13-6-10/h7H,2-6,11H2,1H3
InChIKeyMAVRFHPFSMWCHK-UHFFFAOYSA-N
XLogP1.50
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The IUPAC name of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine (CID 65020383) is 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The canonical SMILES for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine is Cc1ncsc1CCC1(N)CCOC1.
What is the InChIKey of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
The InChIKey is MAVRFHPFSMWCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-9(14-7-12-8)2-3-10(11)4-5-13-6-10/h7H,2-6,11H2,1H3.
What are the key properties of 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine?
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 65020383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).