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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Related Compounds

4-(1,3-Thiazol-2-yl)oxan-4-amine
CID 61330275
3-[[1-(1,3-Thiazol-2-yl)cyclopentyl]amino]propan-1-ol
CID 71859868
3-Methoxy-1-piperidin-4-yl-1-(1,3-thiazol-2-yl)propan-1-amine
CID 66902581
N-(2-methoxyethyl)-5-methyl-2-(1,3-thiazol-2-yl)hexan-2-amine
CID 55084502
[(Oxolan-3-yl)methyl][(1,3-thiazol-2-yl)methyl]amine
CID 61284427
N-ethyl-5-methyl-3-(1,3-thiazol-2-yl)heptan-3-amine
CID 61330202
4-Methoxy-4-methyl-2-(1,3-thiazol-2-yl)pentan-2-amine
CID 61330467
N-ethyl-4-(1,3-thiazol-2-yl)oxan-4-amine
CID 61330788
N-methyl-1-(oxolan-3-yl)-1-(1,3-thiazol-2-yl)methanamine
CID 61331511
N-methyl-1-(1,3-thiazol-2-yl)cyclopentan-1-amine
CID 61332103
4-methoxy-N,4-dimethyl-2-(1,3-thiazol-2-yl)pentan-2-amine
CID 61332296
N,5-dimethyl-2-(1,3-thiazol-2-yl)hexan-2-amine
CID 61332299

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).