N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

C15H16ClN3O2S — CID 75509283

IUPACN-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H16ClN3O2S/c1-10-3-2-4-11(16)13(10)18-15(20)19-6-7-21-12(9-19)14-17-5-8-22-14/h2-5,8,12H,6-7,9H2,1H3,(H,18,20)
InChIKeyZOHDMAKHYUDBJO-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.71
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide

N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 75509283) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID75509283
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1cccc(Cl)c1NC(=O)N1CCOC(c2nccs2)C1
InChIInChI=1S/C15H16ClN3O2S/c1-10-3-2-4-11(16)13(10)18-15(20)19-6-7-21-12(9-19)14-17-5-8-22-14/h2-5,8,12H,6-7,9H2,1H3,(H,18,20)
InChIKeyZOHDMAKHYUDBJO-UHFFFAOYSA-N
XLogP3.71
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 127308401
N-(2,2-dimethylbutyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 167965443
(2S)-N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124624197
(2R)-2-(1,3-thiazol-2-yl)-N-[(1S)-2,2,2-trifluoro-1-(3-methylphenyl)ethyl]morpholine-4-carboxamide
CID 99697628
(5-methyl-1,3-oxazol-2-yl)-[2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154738404
2-(4-chlorophenyl)-N-(2-ethyl-6-methylphenyl)morpholine-4-carboxamide
CID 87034912
(2R)-N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 97276864
N-(2-chloro-6-methylphenyl)-2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]morpholine-4-carboxamide
CID 72886432
(4-ethylcyclohexyl)-[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 124832131
N-(1,2,3,4-tetrahydroquinolin-6-yl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 128762194
[(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

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 75509283) is N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1cccc(Cl)c1NC(=O)N1CCOC(c2nccs2)C1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is ZOHDMAKHYUDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c1-10-3-2-4-11(16)13(10)18-15(20)19-6-7-21-12(9-19)14-17-5-8-22-14/h2-5,8,12H,6-7,9H2,1H3,(H,18,20).
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide?
N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 337.83 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 75509283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).