(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

C15H27Cl2N3O2S — CID 120941258

IUPAC(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1nc(C(C)(C)C)cs1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-9(14-18-11(8-21-14)15(3,4)5)17-13(19)12-10(2)20-7-6-16-12;;/h8-10,12,16H,6-7H2,1-5H3,(H,17,19);2*1H/t9?,10-,12+;;/m1../s1
InChIKeyJBCNQTCNZYSDQF-HXPPMPTRSA-N
MW384.37 g/mol
LogP2.84
Rot. Bonds3

About (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride

(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (PubChem CID 120941258) has the molecular formula C15H27Cl2N3O2S and a molecular weight of 384.37 g/mol. Its IUPAC name is (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
PubChem CID120941258
Molecular FormulaC15H27Cl2N3O2S
Molecular Weight384.37 g/mol
Exact Mass383.12
IUPAC Name(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)c1nc(C(C)(C)C)cs1.Cl.Cl
InChIInChI=1S/C15H25N3O2S.2ClH/c1-9(14-18-11(8-21-14)15(3,4)5)17-13(19)12-10(2)20-7-6-16-12;;/h8-10,12,16H,6-7H2,1-5H3,(H,17,19);2*1H/t9?,10-,12+;;/m1../s1
InChIKeyJBCNQTCNZYSDQF-HXPPMPTRSA-N
XLogP2.84
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.37
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentanecarboxamide
CID 56782260
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CID 120918965
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572
(2R,3S)-N-[1-(4-bromophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928221
(1R,2S,3S,4R)-3-[[(1S)-1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99773931
(2R,3S)-N-[1-(1-benzofuran-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919673
(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931705
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
3-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 107068241
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
CID 120928521
(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride (CID 120941258) is (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is CC(NC(=O)[C@H]1NCCO[C@@H]1C)c1nc(C(C)(C)C)cs1.Cl.Cl.
What is the InChIKey of (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
The InChIKey is JBCNQTCNZYSDQF-HXPPMPTRSA-N. The full InChI is InChI=1S/C15H25N3O2S.2ClH/c1-9(14-18-11(8-21-14)15(3,4)5)17-13(19)12-10(2)20-7-6-16-12;;/h8-10,12,16H,6-7H2,1-5H3,(H,17,19);2*1H/t9?,10-,12+;;/m1../s1.
What are the key properties of (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride?
(2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride has a molecular weight of 384.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120941258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).