1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

C14H15N3O2S — CID 68670537

IUPAC1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCc2ncc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9-7-16-12(20-9)8-17-14(19)11-5-3-4-10(6-11)13(18)15-2/h3-7H,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyLCRRLZWFUOGPCN-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.74
Rot. Bonds4

About 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 68670537) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID68670537
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCNC(=O)c1cccc(C(=O)NCc2ncc(C)s2)c1
InChIInChI=1S/C14H15N3O2S/c1-9-7-16-12(20-9)8-17-14(19)11-5-3-4-10(6-11)13(18)15-2/h3-7H,8H2,1-2H3,(H,15,18)(H,17,19)
InChIKeyLCRRLZWFUOGPCN-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 68670537) is 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is CNC(=O)c1cccc(C(=O)NCc2ncc(C)s2)c1.
What is the InChIKey of 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is LCRRLZWFUOGPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-7-16-12(20-9)8-17-14(19)11-5-3-4-10(6-11)13(18)15-2/h3-7H,8H2,1-2H3,(H,15,18)(H,17,19).
What are the key properties of 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-3-N-[(5-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68670537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).