N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine

C11H18N2OS — CID 62543383

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C11H18N2OS/c1-11(2,3)12-6-10-13-8-4-5-14-7-9(8)15-10/h12H,4-7H2,1-3H3
InChIKeyADRCENXXMAIWKC-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.10
Rot. Bonds2

About N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine (PubChem CID 62543383) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine
PubChem CID62543383
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C11H18N2OS/c1-11(2,3)12-6-10-13-8-4-5-14-7-9(8)15-10/h12H,4-7H2,1-3H3
InChIKeyADRCENXXMAIWKC-UHFFFAOYSA-N
XLogP2.10
TPSA34.15 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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine (CID 62543383) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine is CC(C)(C)NCc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine?
The InChIKey is ADRCENXXMAIWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-11(2,3)12-6-10-13-8-4-5-14-7-9(8)15-10/h12H,4-7H2,1-3H3.
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine has a molecular weight of 226.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-2-methylpropan-2-amine is sourced from PubChem (CID 62543383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).