3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

C14H15N3O2S — CID 68608744

IUPAC3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1csc(CN(C)C(=O)c2cccc(C(N)=O)c2)n1
InChIInChI=1S/C14H15N3O2S/c1-9-8-20-12(16-9)7-17(2)14(19)11-5-3-4-10(6-11)13(15)18/h3-6,8H,7H2,1-2H3,(H2,15,18)
InChIKeyDYKAVFKANDMVSS-UHFFFAOYSA-N
MW289.36 g/mol
LogP1.82
Rot. Bonds4

About 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide

3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (PubChem CID 68608744) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
PubChem CID68608744
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
SMILESCc1csc(CN(C)C(=O)c2cccc(C(N)=O)c2)n1
InChIInChI=1S/C14H15N3O2S/c1-9-8-20-12(16-9)7-17(2)14(19)11-5-3-4-10(6-11)13(15)18/h3-6,8H,7H2,1-2H3,(H2,15,18)
InChIKeyDYKAVFKANDMVSS-UHFFFAOYSA-N
XLogP1.82
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68670318
3-[4-(dimethylamino)-5-methylpyrimidin-2-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 118785531
3-[[(2-benzyl-3-phenylpropanoyl)amino]carbamoyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 67514749
2-hydroxy-3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoic acid
CID 59570177
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-N-[3-[1-(5-propan-2-yl-3-pyridinyl)ethylamino]propyl]benzene-1,3-dicarboxamide
CID 143752541
methyl 3-(difluoromethyl)-5-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamoyl]benzoate
CID 59570127
3-[(3R,4R)-4-cyclopentyl-3-[(3-fluorophenyl)methyl]-4-hydroxybutanoyl]-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 147868723
1-N-[(2S,3R)-3-hydroxy-4-[(4-methylphenyl)methylamino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68961065
1-N-[(2S,3R)-3-hydroxy-4-[methyl-(5-methyl-3-pyridinyl)amino]-1-phenylbutan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 68960738
2,4,5-trifluoro-3-hydroxy-N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzamide
CID 86786064
3-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 38009809
1-N-[(1R,2S)-1-hydroxy-1-[(2R,4R)-4-hydroxypyrrolidin-2-yl]-3-phenylpropan-2-yl]-3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide
CID 45381696

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide (CID 68608744) is 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is Cc1csc(CN(C)C(=O)c2cccc(C(N)=O)c2)n1.
What is the InChIKey of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
The InChIKey is DYKAVFKANDMVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-9-8-20-12(16-9)7-17(2)14(19)11-5-3-4-10(6-11)13(15)18/h3-6,8H,7H2,1-2H3,(H2,15,18).
What are the key properties of 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide?
3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide has a molecular weight of 289.36 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(4-methyl-1,3-thiazol-2-yl)methyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 68608744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).