3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

C14H15N3O2S — CID 18129922

IUPAC3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9-4-3-5-11(6-9)13(19)15-8-12(18)17-14-16-7-10(2)20-14/h3-7H,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyJEBRYZFHLYHNHW-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.13
Rot. Bonds4

About 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide

3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (PubChem CID 18129922) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
PubChem CID18129922
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)Nc2ncc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9-4-3-5-11(6-9)13(19)15-8-12(18)17-14-16-7-10(2)20-14/h3-7H,8H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyJEBRYZFHLYHNHW-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide (CID 18129922) is 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is Cc1cccc(C(=O)NCC(=O)Nc2ncc(C)s2)c1.
What is the InChIKey of 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
The InChIKey is JEBRYZFHLYHNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-4-3-5-11(6-9)13(19)15-8-12(18)17-14-16-7-10(2)20-14/h3-7H,8H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide?
3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide has a molecular weight of 289.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 18129922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).