(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

C15H25N3O5S — CID 71785997

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCc1nc(C)c(C(=O)N2CCOCC2CN(C)CCO)s1.O=CO
InChIInChI=1S/C14H23N3O3S.CH2O2/c1-10-13(21-11(2)15-10)14(19)17-5-7-20-9-12(17)8-16(3)4-6-18;2-1-3/h12,18H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyBAOLPJWQBJHNPO-UHFFFAOYSA-N
MW359.45 g/mol
LogP0.23
Rot. Bonds5

About (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid

(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (PubChem CID 71785997) has the molecular formula C15H25N3O5S and a molecular weight of 359.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
PubChem CID71785997
Molecular FormulaC15H25N3O5S
Molecular Weight359.45 g/mol
Exact Mass359.15
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid
SMILESCc1nc(C)c(C(=O)N2CCOCC2CN(C)CCO)s1.O=CO
InChIInChI=1S/C14H23N3O3S.CH2O2/c1-10-13(21-11(2)15-10)14(19)17-5-7-20-9-12(17)8-16(3)4-6-18;2-1-3/h12,18H,4-9H2,1-3H3;1H,(H,2,3)
InChIKeyBAOLPJWQBJHNPO-UHFFFAOYSA-N
XLogP0.23
TPSA103.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid (CID 71785997) is (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is Cc1nc(C)c(C(=O)N2CCOCC2CN(C)CCO)s1.O=CO.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
The InChIKey is BAOLPJWQBJHNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S.CH2O2/c1-10-13(21-11(2)15-10)14(19)17-5-7-20-9-12(17)8-16(3)4-6-18;2-1-3/h12,18H,4-9H2,1-3H3;1H,(H,2,3).
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid?
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid has a molecular weight of 359.45 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[3-[[2-hydroxyethyl(methyl)amino]methyl]morpholin-4-yl]methanone;formic acid is sourced from PubChem (CID 71785997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).