4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine

C14H17N3O2S — CID 168868278

IUPAC4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(O[C@H]2CC[C@H](c3csc(N)n3)C2)nc1
InChIInChI=1S/C14H17N3O2S/c1-18-11-4-5-13(16-7-11)19-10-3-2-9(6-10)12-8-20-14(15)17-12/h4-5,7-10H,2-3,6H2,1H3,(H2,15,17)/t9-,10-/m0/s1
InChIKeyAUCAMANNMHHOBN-UWVGGRQHSA-N
MW291.38 g/mol
LogP2.84
Rot. Bonds4

About 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine

4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine (PubChem CID 168868278) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine
PubChem CID168868278
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(O[C@H]2CC[C@H](c3csc(N)n3)C2)nc1
InChIInChI=1S/C14H17N3O2S/c1-18-11-4-5-13(16-7-11)19-10-3-2-9(6-10)12-8-20-14(15)17-12/h4-5,7-10H,2-3,6H2,1H3,(H2,15,17)/t9-,10-/m0/s1
InChIKeyAUCAMANNMHHOBN-UWVGGRQHSA-N
XLogP2.84
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine (CID 168868278) is 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine is COc1ccc(O[C@H]2CC[C@H](c3csc(N)n3)C2)nc1.
What is the InChIKey of 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine?
The InChIKey is AUCAMANNMHHOBN-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-18-11-4-5-13(16-7-11)19-10-3-2-9(6-10)12-8-20-14(15)17-12/h4-5,7-10H,2-3,6H2,1H3,(H2,15,17)/t9-,10-/m0/s1.
What are the key properties of 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine?
4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine has a molecular weight of 291.38 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,3S)-3-[(5-methoxy-2-pyridinyl)oxy]cyclopentyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 168868278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).