1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

C16H19N3O2S — CID 51050123

IUPAC1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-18-13(20)11-4-6-12(7-5-11)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyLJUVWYLIGBZNCM-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.17
Rot. Bonds4

About 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide

1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (PubChem CID 51050123) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
PubChem CID51050123
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C16H19N3O2S/c1-16(2,3)10-18-13(20)11-4-6-12(7-5-11)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21)
InChIKeyLJUVWYLIGBZNCM-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide (CID 51050123) is 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is CC(C)(C)CNC(=O)c1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
The InChIKey is LJUVWYLIGBZNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-16(2,3)10-18-13(20)11-4-6-12(7-5-11)14(21)19-15-17-8-9-22-15/h4-9H,10H2,1-3H3,(H,18,20)(H,17,19,21).
What are the key properties of 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide?
1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide has a molecular weight of 317.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethylpropyl)-4-N-(1,3-thiazol-2-yl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 51050123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).