3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine

C11H18N2OS — CID 114535497

IUPAC3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCc1nc(CC2(N)CCOC2C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-10(13-7)6-11(12)4-5-14-9(11)3/h9H,4-6,12H2,1-3H3
InChIKeyOZFGUSPEJNUBSV-UHFFFAOYSA-N
MW226.34 g/mol
LogP1.81
Rot. Bonds2

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

3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine (PubChem CID 114535497) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine
PubChem CID114535497
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine
SMILESCc1nc(CC2(N)CCOC2C)sc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)15-10(13-7)6-11(12)4-5-14-9(11)3/h9H,4-6,12H2,1-3H3
InChIKeyOZFGUSPEJNUBSV-UHFFFAOYSA-N
XLogP1.81
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine?
The IUPAC name of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine (CID 114535497) is 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine is Cc1nc(CC2(N)CCOC2C)sc1C.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine?
The InChIKey is OZFGUSPEJNUBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-8(2)15-10(13-7)6-11(12)4-5-14-9(11)3/h9H,4-6,12H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine?
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine has a molecular weight of 226.34 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyloxolan-3-amine is sourced from PubChem (CID 114535497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).