[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate

C13H19NO3S — CID 75468044

IUPAC[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)O[C@H]2CCC[C@@H]2OC)s1
InChIInChI=1S/C13H19NO3S/c1-3-5-12-14-8-11(18-12)13(15)17-10-7-4-6-9(10)16-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyGYSGMJQTGRNOLQ-UWVGGRQHSA-N
MW269.37 g/mol
LogP2.82
Rot. Bonds5

About [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate

[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate (PubChem CID 75468044) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Name[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate
PubChem CID75468044
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate
SMILESCCCc1ncc(C(=O)O[C@H]2CCC[C@@H]2OC)s1
InChIInChI=1S/C13H19NO3S/c1-3-5-12-14-8-11(18-12)13(15)17-10-7-4-6-9(10)16-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyGYSGMJQTGRNOLQ-UWVGGRQHSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate?
The IUPAC name of [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate (CID 75468044) is [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate is CCCc1ncc(C(=O)O[C@H]2CCC[C@@H]2OC)s1.
What is the InChIKey of [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate?
The InChIKey is GYSGMJQTGRNOLQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-3-5-12-14-8-11(18-12)13(15)17-10-7-4-6-9(10)16-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate?
[(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate has a molecular weight of 269.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-methoxycyclopentyl] 2-propyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 75468044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).