1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

C13H20N2OS — CID 55066614

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1nc2c(s1)CCC2)C1CCOCC1
InChIInChI=1S/C13H20N2OS/c1-14-12(9-5-7-16-8-6-9)13-15-10-3-2-4-11(10)17-13/h9,12,14H,2-8H2,1H3
InChIKeyJPHFSKYUAIZXGK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.32
Rot. Bonds3

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 55066614) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID55066614
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1nc2c(s1)CCC2)C1CCOCC1
InChIInChI=1S/C13H20N2OS/c1-14-12(9-5-7-16-8-6-9)13-15-10-3-2-4-11(10)17-13/h9,12,14H,2-8H2,1H3
InChIKeyJPHFSKYUAIZXGK-UHFFFAOYSA-N
XLogP2.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 55066614) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1nc2c(s1)CCC2)C1CCOCC1.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is JPHFSKYUAIZXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-14-12(9-5-7-16-8-6-9)13-15-10-3-2-4-11(10)17-13/h9,12,14H,2-8H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 55066614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).