1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine

C11H18N2OS — CID 61339234

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc2c(s1)COCC2
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9(12)10-13-7-4-5-14-6-8(7)15-10/h9H,4-6,12H2,1-3H3
InChIKeyJOKLEYQCJBZDHW-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.26
Rot. Bonds1

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine (PubChem CID 61339234) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine
PubChem CID61339234
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(N)c1nc2c(s1)COCC2
InChIInChI=1S/C11H18N2OS/c1-11(2,3)9(12)10-13-7-4-5-14-6-8(7)15-10/h9H,4-6,12H2,1-3H3
InChIKeyJOKLEYQCJBZDHW-UHFFFAOYSA-N
XLogP2.26
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine (CID 61339234) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(N)c1nc2c(s1)COCC2.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine?
The InChIKey is JOKLEYQCJBZDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)9(12)10-13-7-4-5-14-6-8(7)15-10/h9H,4-6,12H2,1-3H3.
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 61339234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).