[2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

C15H23N3O3S — CID 118740107

IUPAC[2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N3O3S/c1-12-13(22-11-16-12)9-17-3-8-21-15(2,10-17)14(19)18-4-6-20-7-5-18/h11H,3-10H2,1-2H3
InChIKeyKUFADVVQOSLQTQ-UHFFFAOYSA-N
MW325.43 g/mol
LogP0.90
Rot. Bonds3

About [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone

[2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (PubChem CID 118740107) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
PubChem CID118740107
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name[2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ncsc1CN1CCOC(C)(C(=O)N2CCOCC2)C1
InChIInChI=1S/C15H23N3O3S/c1-12-13(22-11-16-12)9-17-3-8-21-15(2,10-17)14(19)18-4-6-20-7-5-18/h11H,3-10H2,1-2H3
InChIKeyKUFADVVQOSLQTQ-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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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone (CID 118740107) is [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is Cc1ncsc1CN1CCOC(C)(C(=O)N2CCOCC2)C1.
What is the InChIKey of [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is KUFADVVQOSLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12-13(22-11-16-12)9-17-3-8-21-15(2,10-17)14(19)18-4-6-20-7-5-18/h11H,3-10H2,1-2H3.
What are the key properties of [2-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone?
[2-methyl-4-[(4-methyl-1,3-thiazol-5-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-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 118740107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).