(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine

C16H24N4OS — CID 95144845

IUPAC(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(CCn3cccn3)CCO2)n1
InChIInChI=1S/C16H24N4OS/c1-16(2,3)14-12-22-15(18-14)13-11-19(9-10-21-13)7-8-20-6-4-5-17-20/h4-6,12-13H,7-11H2,1-3H3/t13-/m0/s1
InChIKeyLMMCIGGZMNTSSV-ZDUSSCGKSA-N
MW320.46 g/mol
LogP2.71
Rot. Bonds4

About (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine (PubChem CID 95144845) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
PubChem CID95144845
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(CCn3cccn3)CCO2)n1
InChIInChI=1S/C16H24N4OS/c1-16(2,3)14-12-22-15(18-14)13-11-19(9-10-21-13)7-8-20-6-4-5-17-20/h4-6,12-13H,7-11H2,1-3H3/t13-/m0/s1
InChIKeyLMMCIGGZMNTSSV-ZDUSSCGKSA-N
XLogP2.71
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
CID 100683282
(2S)-2-(5-methyl-1H-1,2,4-triazol-3-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 96512312
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
(2S)-2-(6-methoxynaphthalen-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine
CID 95545477
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]butanenitrile
CID 86772841
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 100746996
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 124880284
2-(4-methyl-1,3-thiazol-2-yl)-4-[3-(1,2,4-triazol-1-yl)propyl]morpholine
CID 86772824
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-[4-(3-chloropropyl)-1,3-thiazol-2-yl]-4-propylmorpholine
CID 113369421

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine (CID 95144845) is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine.
What is the SMILES notation for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The canonical SMILES for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine is CC(C)(C)c1csc([C@@H]2CN(CCn3cccn3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
The InChIKey is LMMCIGGZMNTSSV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-16(2,3)14-12-22-15(18-14)13-11-19(9-10-21-13)7-8-20-6-4-5-17-20/h4-6,12-13H,7-11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine?
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine has a molecular weight of 320.46 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-pyrazol-1-ylethyl)morpholine is sourced from PubChem (CID 95144845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).