4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole

C17H21NOS — CID 70954962

IUPAC4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole
SMILESCCc1csc([C@H]2CC[C@H](OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21NOS/c1-2-15-12-20-17(18-15)14-8-9-16(10-14)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3/t14-,16-/m0/s1
InChIKeyWMAUODKRKURAOT-HOCLYGCPSA-N
MW287.43 g/mol
LogP4.56
Rot. Bonds5

About 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole

4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole (PubChem CID 70954962) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole
PubChem CID70954962
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole
SMILESCCc1csc([C@H]2CC[C@H](OCc3ccccc3)C2)n1
InChIInChI=1S/C17H21NOS/c1-2-15-12-20-17(18-15)14-8-9-16(10-14)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3/t14-,16-/m0/s1
InChIKeyWMAUODKRKURAOT-HOCLYGCPSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole (CID 70954962) is 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole is CCc1csc([C@H]2CC[C@H](OCc3ccccc3)C2)n1.
What is the InChIKey of 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole?
The InChIKey is WMAUODKRKURAOT-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-15-12-20-17(18-15)14-8-9-16(10-14)19-11-13-6-4-3-5-7-13/h3-7,12,14,16H,2,8-11H2,1H3/t14-,16-/m0/s1.
What are the key properties of 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole?
4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole has a molecular weight of 287.43 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(1S,3S)-3-phenylmethoxycyclopentyl]-1,3-thiazole is sourced from PubChem (CID 70954962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).