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

C12H18N2OS — CID 46784922

IUPACN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1Cc2nc(CNCC3CCCO3)sc2C1
InChIInChI=1S/C12H18N2OS/c1-4-10-11(5-1)16-12(14-10)8-13-7-9-3-2-6-15-9/h9,13H,1-8H2
InChIKeyUYCWPQRJVDYFKE-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.90
Rot. Bonds4

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

N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine (PubChem CID 46784922) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine.

Molecular Properties

Compound NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine
PubChem CID46784922
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine
SMILESC1Cc2nc(CNCC3CCCO3)sc2C1
InChIInChI=1S/C12H18N2OS/c1-4-10-11(5-1)16-12(14-10)8-13-7-9-3-2-6-15-9/h9,13H,1-8H2
InChIKeyUYCWPQRJVDYFKE-UHFFFAOYSA-N
XLogP1.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The IUPAC name of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine (CID 46784922) is N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine.
What is the SMILES notation for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The canonical SMILES for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine is C1Cc2nc(CNCC3CCCO3)sc2C1.
What is the InChIKey of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
The InChIKey is UYCWPQRJVDYFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-10-11(5-1)16-12(14-10)8-13-7-9-3-2-6-15-9/h9,13H,1-8H2.
What are the key properties of N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine?
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine has a molecular weight of 238.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-1-(oxolan-2-yl)methanamine is sourced from PubChem (CID 46784922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).