3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine

C9H14N2OS — CID 126999974

IUPAC3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine
SMILESCOc1cc(C2CCC(N)C2)sn1
InChIInChI=1S/C9H14N2OS/c1-12-9-5-8(13-11-9)6-2-3-7(10)4-6/h5-7H,2-4,10H2,1H3
InChIKeySLIFJZQQOWDVNX-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.75
Rot. Bonds2

About 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine

3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine (PubChem CID 126999974) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine
PubChem CID126999974
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine
SMILESCOc1cc(C2CCC(N)C2)sn1
InChIInChI=1S/C9H14N2OS/c1-12-9-5-8(13-11-9)6-2-3-7(10)4-6/h5-7H,2-4,10H2,1H3
InChIKeySLIFJZQQOWDVNX-UHFFFAOYSA-N
XLogP1.75
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine?
The IUPAC name of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine (CID 126999974) is 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine?
The canonical SMILES for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine is COc1cc(C2CCC(N)C2)sn1.
What is the InChIKey of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine?
The InChIKey is SLIFJZQQOWDVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-12-9-5-8(13-11-9)6-2-3-7(10)4-6/h5-7H,2-4,10H2,1H3.
What are the key properties of 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine?
3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine has a molecular weight of 198.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1,2-thiazol-5-yl)cyclopentan-1-amine is sourced from PubChem (CID 126999974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).