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

C16H25N5OS — CID 129342067

IUPAC(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCCCc1nc(CN2CCO[C@H](c3nncn3CC)C2)cs1
InChIInChI=1S/C16H25N5OS/c1-3-5-6-15-18-13(11-23-15)9-20-7-8-22-14(10-20)16-19-17-12-21(16)4-2/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeySIDLJRCBUJTBLM-AWEZNQCLSA-N
MW335.48 g/mol
LogP2.67
Rot. Bonds7

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

(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (PubChem CID 129342067) has the molecular formula C16H25N5OS and a molecular weight of 335.48 g/mol. Its IUPAC name is (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
PubChem CID129342067
Molecular FormulaC16H25N5OS
Molecular Weight335.48 g/mol
Exact Mass335.18
IUPAC Name(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
SMILESCCCCc1nc(CN2CCO[C@H](c3nncn3CC)C2)cs1
InChIInChI=1S/C16H25N5OS/c1-3-5-6-15-18-13(11-23-15)9-20-7-8-22-14(10-20)16-19-17-12-21(16)4-2/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeySIDLJRCBUJTBLM-AWEZNQCLSA-N
XLogP2.67
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.48
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-4-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)morpholine
CID 129335905
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(3-methylthiophen-2-yl)methyl]morpholine
CID 128997862
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
4-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129001246
(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(5-methylfuran-2-yl)methyl]morpholine
CID 129332140
(2R)-4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129332069
5-[[(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methyl]thiophene-2-carbonitrile
CID 129340117
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholine
CID 129340570
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(3-propan-2-yloxypropyl)morpholine
CID 129335737
(2R)-4-[(3-chloro-4-pyridinyl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129338594
(2R)-4-(1,3-benzodioxol-4-ylmethyl)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine
CID 129331530
1-[1-[(2-butyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-yl]ethanol
CID 110020463

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine (CID 129342067) is (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is CCCCc1nc(CN2CCO[C@H](c3nncn3CC)C2)cs1.
What is the InChIKey of (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
The InChIKey is SIDLJRCBUJTBLM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N5OS/c1-3-5-6-15-18-13(11-23-15)9-20-7-8-22-14(10-20)16-19-17-12-21(16)4-2/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine?
(2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine has a molecular weight of 335.48 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-butyl-1,3-thiazol-4-yl)methyl]-2-(4-ethyl-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 129342067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).