(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

C16H23N5OS — CID 95352014

IUPAC(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESc1ncn(C[C@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n1
InChIInChI=1S/C16H23N5OS/c1-2-4-13(3-1)16-19-14(10-23-16)7-20-5-6-22-15(8-20)9-21-12-17-11-18-21/h10-13,15H,1-9H2/t15-/m1/s1
InChIKeyWCOZXEUPQMLTJU-OAHLLOKOSA-N
MW333.46 g/mol
LogP2.29
Rot. Bonds5

About (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine

(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (PubChem CID 95352014) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
PubChem CID95352014
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
SMILESc1ncn(C[C@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n1
InChIInChI=1S/C16H23N5OS/c1-2-4-13(3-1)16-19-14(10-23-16)7-20-5-6-22-15(8-20)9-21-12-17-11-18-21/h10-13,15H,1-9H2/t15-/m1/s1
InChIKeyWCOZXEUPQMLTJU-OAHLLOKOSA-N
XLogP2.29
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine with MolForge

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Related Compounds

(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
CID 95305458
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-cyclopentyl-4-[[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 95610006
(2R)-4-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95350905
(2R)-4-(1,3-benzothiazol-2-ylmethyl)-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95978871
4-[(1-methylimidazol-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 75369872
(2R)-4-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95346647
(2R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95610123
(2S)-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine
CID 95329746
(2S)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 97059682
1-[(4aR,8aR)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-[(2S)-2-(1,2,4-triazol-1-ylmethyl)morpholin-4-yl]ethanone
CID 98761733

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The IUPAC name of (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine (CID 95352014) is (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine.
What is the SMILES notation for (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The canonical SMILES for (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is c1ncn(C[C@H]2CN(Cc3csc(C4CCCC4)n3)CCO2)n1.
What is the InChIKey of (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
The InChIKey is WCOZXEUPQMLTJU-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-2-4-13(3-1)16-19-14(10-23-16)7-20-5-6-22-15(8-20)9-21-12-17-11-18-21/h10-13,15H,1-9H2/t15-/m1/s1.
What are the key properties of (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine?
(2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine has a molecular weight of 333.46 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)morpholine is sourced from PubChem (CID 95352014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).