N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

C13H20N2OS — CID 75377453

IUPACN-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESc1csc(C2(NCC3CCOC3)CCCC2)n1
InChIInChI=1S/C13H20N2OS/c1-2-5-13(4-1,12-14-6-8-17-12)15-9-11-3-7-16-10-11/h6,8,11,15H,1-5,7,9-10H2
InChIKeyWVTNTOLPAJFZBP-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.54
Rot. Bonds4

About N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine

N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (PubChem CID 75377453) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
PubChem CID75377453
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC NameN-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
SMILESc1csc(C2(NCC3CCOC3)CCCC2)n1
InChIInChI=1S/C13H20N2OS/c1-2-5-13(4-1,12-14-6-8-17-12)15-9-11-3-7-16-10-11/h6,8,11,15H,1-5,7,9-10H2
InChIKeyWVTNTOLPAJFZBP-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The IUPAC name of N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine (CID 75377453) is N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine.
What is the SMILES notation for N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The canonical SMILES for N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is c1csc(C2(NCC3CCOC3)CCCC2)n1.
What is the InChIKey of N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
The InChIKey is WVTNTOLPAJFZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-2-5-13(4-1,12-14-6-8-17-12)15-9-11-3-7-16-10-11/h6,8,11,15H,1-5,7,9-10H2.
What are the key properties of N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine?
N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine has a molecular weight of 252.38 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-ylmethyl)-1-(1,3-thiazol-2-yl)cyclopentan-1-amine is sourced from PubChem (CID 75377453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).