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

C10H16N2OS — CID 63335162

IUPACN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
SMILESCc1csc(CCNC2CCOC2)n1
InChIInChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3
InChIKeyGNPQYBCLPKFNTD-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.37
Rot. Bonds4

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

N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine (PubChem CID 63335162) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
PubChem CID63335162
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
SMILESCc1csc(CCNC2CCOC2)n1
InChIInChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3
InChIKeyGNPQYBCLPKFNTD-UHFFFAOYSA-N
XLogP1.37
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine (CID 63335162) is N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine is Cc1csc(CCNC2CCOC2)n1.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine?
The InChIKey is GNPQYBCLPKFNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-8-7-14-10(12-8)2-4-11-9-3-5-13-6-9/h7,9,11H,2-6H2,1H3.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine?
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 63335162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).