1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

C13H20N2OS — CID 46784929

IUPAC1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H20N2OS/c1-9(14-8-10-4-3-7-16-10)13-15-11-5-2-6-12(11)17-13/h9-10,14H,2-8H2,1H3
InChIKeyWTNXUMZNYJMSON-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.46
Rot. Bonds4

About 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (PubChem CID 46784929) 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-(oxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
PubChem CID46784929
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
SMILESCC(NCC1CCCO1)c1nc2c(s1)CCC2
InChIInChI=1S/C13H20N2OS/c1-9(14-8-10-4-3-7-16-10)13-15-11-5-2-6-12(11)17-13/h9-10,14H,2-8H2,1H3
InChIKeyWTNXUMZNYJMSON-UHFFFAOYSA-N
XLogP2.46
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.46
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-(oxolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine (CID 46784929) is 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine is CC(NCC1CCCO1)c1nc2c(s1)CCC2.
What is the InChIKey of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
The InChIKey is WTNXUMZNYJMSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(14-8-10-4-3-7-16-10)13-15-11-5-2-6-12(11)17-13/h9-10,14H,2-8H2,1H3.
What are the key properties of 1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine?
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine has a molecular weight of 252.38 g/mol, XLogP of 2.46, 4 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-(oxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 46784929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).