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

C8H12N2OS — CID 63333277

IUPACN-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
SMILESCNC1(c2nccs2)CCOC1
InChIInChI=1S/C8H12N2OS/c1-9-8(2-4-11-6-8)7-10-3-5-12-7/h3,5,9H,2,4,6H2,1H3
InChIKeyLPCMVFRBNXJEBJ-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.98
Rot. Bonds2

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

N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine (PubChem CID 63333277) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
PubChem CID63333277
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine
SMILESCNC1(c2nccs2)CCOC1
InChIInChI=1S/C8H12N2OS/c1-9-8(2-4-11-6-8)7-10-3-5-12-7/h3,5,9H,2,4,6H2,1H3
InChIKeyLPCMVFRBNXJEBJ-UHFFFAOYSA-N
XLogP0.98
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The IUPAC name of N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine (CID 63333277) is N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine.
What is the SMILES notation for N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The canonical SMILES for N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine is CNC1(c2nccs2)CCOC1.
What is the InChIKey of N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine?
The InChIKey is LPCMVFRBNXJEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-9-8(2-4-11-6-8)7-10-3-5-12-7/h3,5,9H,2,4,6H2,1H3.
What are the key properties of N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine?
N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine has a molecular weight of 184.26 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3-thiazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 63333277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).