[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone

C17H21N3O2S — CID 100746996

IUPAC[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)14-11-23-15(19-14)13-10-20(8-9-22-13)16(21)12-6-4-5-7-18-12/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyOPTLCJLMDMENFB-ZDUSSCGKSA-N
MW331.44 g/mol
LogP3.05
Rot. Bonds2

About [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone

[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone (PubChem CID 100746996) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
PubChem CID100746996
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone
SMILESCC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)14-11-23-15(19-14)13-10-20(8-9-22-13)16(21)12-6-4-5-7-18-12/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyOPTLCJLMDMENFB-ZDUSSCGKSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]acetic acid
CID 124681690
2-(4-tert-butyl-1,3-thiazol-2-yl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)morpholine-4-carboxamide
CID 128641736
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
[(2R)-2-[4-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 92639213
[2-[4-(6-amino-3-pyridinyl)-6-methyl-2-pyridinyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 127251356
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 124880284
pyridin-2-yl-[(6S)-6-(pyrimidin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 124961736
N-[[2-[(2S)-4-(pyridine-2-carbonyl)morpholin-2-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 125021716
4-acetyl-2-[2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]benzonitrile
CID 133457235

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone (CID 100746996) is [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone is CC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccccn3)CCO2)n1.
What is the InChIKey of [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone?
The InChIKey is OPTLCJLMDMENFB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(2,3)14-11-23-15(19-14)13-10-20(8-9-22-13)16(21)12-6-4-5-7-18-12/h4-7,11,13H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone?
[(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone has a molecular weight of 331.44 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 100746996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).