(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine

C16H21ClN4OS — CID 100683282

IUPAC(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(Cc3cnc(Cl)cn3)CCO2)n1
InChIInChI=1S/C16H21ClN4OS/c1-16(2,3)13-10-23-15(20-13)12-9-21(4-5-22-12)8-11-6-19-14(17)7-18-11/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyVNQMIPZRHKZYJN-LBPRGKRZSA-N
MW352.89 g/mol
LogP3.46
Rot. Bonds3

About (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine

(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine (PubChem CID 100683282) has the molecular formula C16H21ClN4OS and a molecular weight of 352.89 g/mol. Its IUPAC name is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
PubChem CID100683282
Molecular FormulaC16H21ClN4OS
Molecular Weight352.89 g/mol
Exact Mass352.11
IUPAC Name(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine
SMILESCC(C)(C)c1csc([C@@H]2CN(Cc3cnc(Cl)cn3)CCO2)n1
InChIInChI=1S/C16H21ClN4OS/c1-16(2,3)13-10-23-15(20-13)12-9-21(4-5-22-12)8-11-6-19-14(17)7-18-11/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1
InChIKeyVNQMIPZRHKZYJN-LBPRGKRZSA-N
XLogP3.46
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.46
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-(2-pyrazol-1-ylethyl)morpholine
CID 95144845
(2S)-4-[(5-methylpyrazin-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 95156937
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-(5-fluoro-2-pyridinyl)morpholine
CID 124880284
(2R)-4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97320286
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]ethanamine
CID 81490860
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-cyclopropylsulfonylmorpholine
CID 99840275
(2S)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95137666
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]-[(2R)-oxolan-2-yl]methanone
CID 124726438
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
CID 103054391

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine (CID 100683282) is (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine is CC(C)(C)c1csc([C@@H]2CN(Cc3cnc(Cl)cn3)CCO2)n1.
What is the InChIKey of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine?
The InChIKey is VNQMIPZRHKZYJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21ClN4OS/c1-16(2,3)13-10-23-15(20-13)12-9-21(4-5-22-12)8-11-6-19-14(17)7-18-11/h6-7,10,12H,4-5,8-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine?
(2S)-2-(4-tert-butyl-1,3-thiazol-2-yl)-4-[(5-chloropyrazin-2-yl)methyl]morpholine has a molecular weight of 352.89 g/mol, XLogP of 3.46, 3 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-[(5-chloropyrazin-2-yl)methyl]morpholine is sourced from PubChem (CID 100683282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).