4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide

C14H15BrN2O2S — CID 47391527

IUPAC4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)N(C)c1nccs1
InChIInChI=1S/C14H15BrN2O2S/c1-9(2)19-12-8-10(15)4-5-11(12)13(18)17(3)14-16-6-7-20-14/h4-9H,1-3H3
InChIKeyUNZZDBANMLWQLI-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.97
Rot. Bonds4

About 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide

4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 47391527) has the molecular formula C14H15BrN2O2S and a molecular weight of 355.26 g/mol. Its IUPAC name is 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
PubChem CID47391527
Molecular FormulaC14H15BrN2O2S
Molecular Weight355.26 g/mol
Exact Mass354.00
IUPAC Name4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide
SMILESCC(C)Oc1cc(Br)ccc1C(=O)N(C)c1nccs1
InChIInChI=1S/C14H15BrN2O2S/c1-9(2)19-12-8-10(15)4-5-11(12)13(18)17(3)14-16-6-7-20-14/h4-9H,1-3H3
InChIKeyUNZZDBANMLWQLI-UHFFFAOYSA-N
XLogP3.97
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide (CID 47391527) is 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is CC(C)Oc1cc(Br)ccc1C(=O)N(C)c1nccs1.
What is the InChIKey of 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is UNZZDBANMLWQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2S/c1-9(2)19-12-8-10(15)4-5-11(12)13(18)17(3)14-16-6-7-20-14/h4-9H,1-3H3.
What are the key properties of 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide?
4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 355.26 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-2-propan-2-yloxy-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 47391527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).