[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

C15H23N3O3S — CID 110271141

IUPAC[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C15H23N3O3S/c1-12-16-13(10-22-12)9-17-3-8-21-15(2,11-17)14(19)18-4-6-20-7-5-18/h10H,3-9,11H2,1-2H3
InChIKeyQRGBLULUCDQCLC-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.90
Rot. Bonds3

About [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110271141) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID110271141
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)cs1
InChIInChI=1S/C15H23N3O3S/c1-12-16-13(10-22-12)9-17-3-8-21-15(2,11-17)14(19)18-4-6-20-7-5-18/h10H,3-9,11H2,1-2H3
InChIKeyQRGBLULUCDQCLC-UHFFFAOYSA-N
XLogP0.90
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
CID 95845936
[2-methyl-4-[(6-methyl-2-pyridinyl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 118740287
[2-methyl-4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 175652668
[2-methyl-4-(thiophen-3-ylmethyl)morpholin-2-yl]-morpholin-4-ylmethanone
CID 110268314
1-[(6S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]ethanone
CID 97494995
[4-(1H-imidazol-2-ylmethyl)-2-methylmorpholin-2-yl]-morpholin-4-ylmethanone
CID 110268350
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689189
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 155981120
(2-methyl-1,3-thiazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688995
4-(cyclopropylmethyl)-8-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecane
CID 131640207
[2-methyl-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 127247751
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 110271141) is [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is Cc1nc(CN2CCOC(C)(C(=O)N3CCOCC3)C2)cs1.
What is the InChIKey of [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is QRGBLULUCDQCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-16-13(10-22-12)9-17-3-8-21-15(2,11-17)14(19)18-4-6-20-7-5-18/h10H,3-9,11H2,1-2H3.
What are the key properties of [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 325.43 g/mol, XLogP of 0.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110271141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).