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

C10H16N2OS — CID 62544672

IUPACN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C10H16N2OS/c1-7(2)11-5-10-12-8-3-4-13-6-9(8)14-10/h7,11H,3-6H2,1-2H3
InChIKeyQOKSKPMQXUNJNQ-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.71
Rot. Bonds3

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

N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine (PubChem CID 62544672) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine
PubChem CID62544672
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine
SMILESCC(C)NCc1nc2c(s1)COCC2
InChIInChI=1S/C10H16N2OS/c1-7(2)11-5-10-12-8-3-4-13-6-9(8)14-10/h7,11H,3-6H2,1-2H3
InChIKeyQOKSKPMQXUNJNQ-UHFFFAOYSA-N
XLogP1.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.71
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)propan-2-amine?
The IUPAC name of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine (CID 62544672) is N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine is CC(C)NCc1nc2c(s1)COCC2.
What is the InChIKey of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine?
The InChIKey is QOKSKPMQXUNJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(2)11-5-10-12-8-3-4-13-6-9(8)14-10/h7,11H,3-6H2,1-2H3.
What are the key properties of N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine?
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)propan-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.71, 3 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)propan-2-amine is sourced from PubChem (CID 62544672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).