3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one

C15H18N2OS — CID 46232207

IUPAC3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1cnc(C(=O)CCN(C)Cc2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-12-10-16-15(19-12)14(18)8-9-17(2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
InChIKeyRICDWVZNNJKNCF-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.16
Rot. Bonds6

About 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one

3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 46232207) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
PubChem CID46232207
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
SMILESCc1cnc(C(=O)CCN(C)Cc2ccccc2)s1
InChIInChI=1S/C15H18N2OS/c1-12-10-16-15(19-12)14(18)8-9-17(2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
InChIKeyRICDWVZNNJKNCF-UHFFFAOYSA-N
XLogP3.16
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one (CID 46232207) is 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one is Cc1cnc(C(=O)CCN(C)Cc2ccccc2)s1.
What is the InChIKey of 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is RICDWVZNNJKNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-12-10-16-15(19-12)14(18)8-9-17(2)11-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3.
What are the key properties of 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one?
3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 46232207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).