N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C16H16N4O2S — CID 32606786

IUPACN-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cnn(C)c3)c2)cs1
InChIInChI=1S/C16H16N4O2S/c1-11-18-14(10-23-11)9-22-15-5-3-4-12(6-15)16(21)19-13-7-17-20(2)8-13/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyAWRIMKCIYJTAMY-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.02
Rot. Bonds5

About N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 32606786) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID32606786
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCc1nc(COc2cccc(C(=O)Nc3cnn(C)c3)c2)cs1
InChIInChI=1S/C16H16N4O2S/c1-11-18-14(10-23-11)9-22-15-5-3-4-12(6-15)16(21)19-13-7-17-20(2)8-13/h3-8,10H,9H2,1-2H3,(H,19,21)
InChIKeyAWRIMKCIYJTAMY-UHFFFAOYSA-N
XLogP3.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 32606786) is N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is Cc1nc(COc2cccc(C(=O)Nc3cnn(C)c3)c2)cs1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is AWRIMKCIYJTAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-11-18-14(10-23-11)9-22-15-5-3-4-12(6-15)16(21)19-13-7-17-20(2)8-13/h3-8,10H,9H2,1-2H3,(H,19,21).
What are the key properties of N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 328.40 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 32606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).