[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

C17H20ClN3O2S — CID 168582257

IUPAC[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(NCc3cnc(Cl)s3)cc2)CC(C)O1
InChIInChI=1S/C17H20ClN3O2S/c1-11-9-21(10-12(2)23-11)16(22)13-3-5-14(6-4-13)19-7-15-8-20-17(18)24-15/h3-6,8,11-12,19H,7,9-10H2,1-2H3
InChIKeyOQLIFUSPEZPCTG-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.66
Rot. Bonds4

About [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone

[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 168582257) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID168582257
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC Name[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2ccc(NCc3cnc(Cl)s3)cc2)CC(C)O1
InChIInChI=1S/C17H20ClN3O2S/c1-11-9-21(10-12(2)23-11)16(22)13-3-5-14(6-4-13)19-7-15-8-20-17(18)24-15/h3-6,8,11-12,19H,7,9-10H2,1-2H3
InChIKeyOQLIFUSPEZPCTG-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone with MolForge

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Related Compounds

[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-piperidin-1-ylmethanone
CID 168582571
(2,6-dimethylmorpholin-4-yl)-[4-(propylamino)phenyl]methanone
CID 62170653
(2,6-dimethylmorpholin-4-yl)-[4-(ethylamino)phenyl]methanone
CID 62170652
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
methyl 2-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]anilino]acetate
CID 94631757
(2,6-dimethylmorpholin-4-yl)-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylamino]phenyl]methanone
CID 71972923
3-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033836
(2,6-dimethylmorpholin-4-yl)-[6-(ethylamino)-3-pyridinyl]methanone
CID 62171862
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[6-(ethylamino)-3-pyridinyl]methanone
CID 104960451
1-(azocan-1-yl)-2-[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]anilino]ethanone
CID 94631749
(2,6-dimethylmorpholin-4-yl)-(4-iodophenyl)methanone
CID 2961375

Frequently Asked Questions

What is the IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 168582257) is [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2ccc(NCc3cnc(Cl)s3)cc2)CC(C)O1.
What is the InChIKey of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is OQLIFUSPEZPCTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-11-9-21(10-12(2)23-11)16(22)13-3-5-14(6-4-13)19-7-15-8-20-17(18)24-15/h3-6,8,11-12,19H,7,9-10H2,1-2H3.
What are the key properties of [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone?
[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 365.89 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 168582257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).