3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

C17H18N4O2S — CID 24655035

IUPAC3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-16(12(2)21(3)20-11)19-17(22)13-5-4-6-15(7-13)23-8-14-9-24-10-18-14/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyYNVNQRIBPGMAQZ-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.32
Rot. Bonds5

About 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide

3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (PubChem CID 24655035) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
PubChem CID24655035
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cccc(OCc2cscn2)c1
InChIInChI=1S/C17H18N4O2S/c1-11-16(12(2)21(3)20-11)19-17(22)13-5-4-6-15(7-13)23-8-14-9-24-10-18-14/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKeyYNVNQRIBPGMAQZ-UHFFFAOYSA-N
XLogP3.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The IUPAC name of 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide (CID 24655035) is 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide.
What is the SMILES notation for 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The canonical SMILES for 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is Cc1nn(C)c(C)c1NC(=O)c1cccc(OCc2cscn2)c1.
What is the InChIKey of 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
The InChIKey is YNVNQRIBPGMAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-16(12(2)21(3)20-11)19-17(22)13-5-4-6-15(7-13)23-8-14-9-24-10-18-14/h4-7,9-10H,8H2,1-3H3,(H,19,22).
What are the key properties of 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide?
3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-4-ylmethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide is sourced from PubChem (CID 24655035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).