N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

C15H25N3O2S — CID 71856476

IUPACN-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(CN2CCOCC2)C(C)C)cs1
InChIInChI=1S/C15H25N3O2S/c1-11(2)14(9-18-4-6-20-7-5-18)17-15(19)8-13-10-21-12(3)16-13/h10-11,14H,4-9H2,1-3H3,(H,17,19)
InChIKeyJNQHQCOJJMMLNN-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.47
Rot. Bonds6

About N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71856476) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID71856476
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
SMILESCc1nc(CC(=O)NC(CN2CCOCC2)C(C)C)cs1
InChIInChI=1S/C15H25N3O2S/c1-11(2)14(9-18-4-6-20-7-5-18)17-15(19)8-13-10-21-12(3)16-13/h10-11,14H,4-9H2,1-3H3,(H,17,19)
InChIKeyJNQHQCOJJMMLNN-UHFFFAOYSA-N
XLogP1.47
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide (CID 71856476) is N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is Cc1nc(CC(=O)NC(CN2CCOCC2)C(C)C)cs1.
What is the InChIKey of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is JNQHQCOJJMMLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)14(9-18-4-6-20-7-5-18)17-15(19)8-13-10-21-12(3)16-13/h10-11,14H,4-9H2,1-3H3,(H,17,19).
What are the key properties of N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide?
N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-morpholin-4-ylbutan-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71856476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).