(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

C14H18N4O2S2 — CID 124624197

IUPAC(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCO[C@H](c3nccs3)C2)s1
InChIInChI=1S/C14H18N4O2S2/c1-9(2)11-7-16-13(22-11)17-14(19)18-4-5-20-10(8-18)12-15-3-6-21-12/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,16,17,19)/t10-/m0/s1
InChIKeyWJISSWSHHZHUMC-JTQLQIEISA-N
MW338.46 g/mol
LogP3.33
Rot. Bonds3

About (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 124624197) has the molecular formula C14H18N4O2S2 and a molecular weight of 338.46 g/mol. Its IUPAC name is (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID124624197
Molecular FormulaC14H18N4O2S2
Molecular Weight338.46 g/mol
Exact Mass338.09
IUPAC Name(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCO[C@H](c3nccs3)C2)s1
InChIInChI=1S/C14H18N4O2S2/c1-9(2)11-7-16-13(22-11)17-14(19)18-4-5-20-10(8-18)12-15-3-6-21-12/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,16,17,19)/t10-/m0/s1
InChIKeyWJISSWSHHZHUMC-JTQLQIEISA-N
XLogP3.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124890686
N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
(2R)-2-(1-ethylpyrazol-4-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624168
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 75509283
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
3-(2-methyl-1,3-dioxolan-2-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 122147137
4-(oxane-4-carbonyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 59143398
[(1R,3R)-3-aminocyclopentyl]-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124699789
[(1S,3R)-3-aminocyclopentyl]-[(2S)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 125119764
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 128762194

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 124624197) is (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is CC(C)c1cnc(NC(=O)N2CCO[C@H](c3nccs3)C2)s1.
What is the InChIKey of (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is WJISSWSHHZHUMC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2S2/c1-9(2)11-7-16-13(22-11)17-14(19)18-4-5-20-10(8-18)12-15-3-6-21-12/h3,6-7,9-10H,4-5,8H2,1-2H3,(H,16,17,19)/t10-/m0/s1.
What are the key properties of (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 124624197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).