(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide

C17H18N4O2S — CID 120917971

IUPAC(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-11-15(18-6-8-23-11)16(22)19-13-4-2-12(3-5-13)14-10-21-7-9-24-17(21)20-14/h2-5,7,9-11,15,18H,6,8H2,1H3,(H,19,22)/t11-,15+/m1/s1
InChIKeyWZIRLTIOMKYWIV-ABAIWWIYSA-N
MW342.42 g/mol
LogP2.38
Rot. Bonds3

About (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120917971) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
PubChem CID120917971
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
InChIInChI=1S/C17H18N4O2S/c1-11-15(18-6-8-23-11)16(22)19-13-4-2-12(3-5-13)14-10-21-7-9-24-17(21)20-14/h2-5,7,9-11,15,18H,6,8H2,1H3,(H,19,22)/t11-,15+/m1/s1
InChIKeyWZIRLTIOMKYWIV-ABAIWWIYSA-N
XLogP2.38
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939459
(2R)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677602
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide
CID 119677624
(2S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)piperidine-2-carboxamide;hydrochloride
CID 119677623
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120924476
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
1-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-3-(4-methylphenyl)urea
CID 43936533
N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-1,4-dithiane-2-carboxamide
CID 112765212
3-amino-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119677611
(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride
CID 120931862

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide (CID 120917971) is (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1.
What is the InChIKey of (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is WZIRLTIOMKYWIV-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-15(18-6-8-23-11)16(22)19-13-4-2-12(3-5-13)14-10-21-7-9-24-17(21)20-14/h2-5,7,9-11,15,18H,6,8H2,1H3,(H,19,22)/t11-,15+/m1/s1.
What are the key properties of (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120917971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).