(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

C17H25N5OS — CID 97059682

IUPAC(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc([C@@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5OS/c1-2-15-19-16(21-20-15)14-10-22(7-8-23-14)9-13-11-24-17(18-13)12-5-3-4-6-12/h11-12,14H,2-10H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCKWDDSPYBAQSDP-AWEZNQCLSA-N
MW347.49 g/mol
LogP3.05
Rot. Bonds5

About (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine

(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 97059682) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID97059682
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC Name(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCc1nc([C@@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n[nH]1
InChIInChI=1S/C17H25N5OS/c1-2-15-19-16(21-20-15)14-10-22(7-8-23-14)9-13-11-24-17(18-13)12-5-3-4-6-12/h11-12,14H,2-10H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCKWDDSPYBAQSDP-AWEZNQCLSA-N
XLogP3.05
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 56781129
1-[(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-N,N-dimethylmethanamine
CID 95611811
2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 71928113
(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-[(1-propan-2-ylpyrazol-3-yl)methyl]morpholine
CID 96997028
4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71872375
5-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897248
(2S)-4-[(1-ethylimidazol-2-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 96512338
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
CID 71928045
[3-(4-ethylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79669524
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95352014
4-[[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]-1-methylpyridin-2-one
CID 71928122

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine (CID 97059682) is (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is CCc1nc([C@@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n[nH]1.
What is the InChIKey of (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is CKWDDSPYBAQSDP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-2-15-19-16(21-20-15)14-10-22(7-8-23-14)9-13-11-24-17(18-13)12-5-3-4-6-12/h11-12,14H,2-10H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 347.49 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 97059682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).