N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide

C19H17BrN2O2S — CID 22433390

IUPACN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-3-22(18(23)15-6-4-5-7-17(15)24-2)19-21-16(12-25-19)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3
InChIKeyNOCZDHRMHNTZBL-UHFFFAOYSA-N
MW417.33 g/mol
LogP5.25
Rot. Bonds5

About N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide

N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide (PubChem CID 22433390) has the molecular formula C19H17BrN2O2S and a molecular weight of 417.33 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
PubChem CID22433390
Molecular FormulaC19H17BrN2O2S
Molecular Weight417.33 g/mol
Exact Mass416.02
IUPAC NameN-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide
SMILESCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1
InChIInChI=1S/C19H17BrN2O2S/c1-3-22(18(23)15-6-4-5-7-17(15)24-2)19-21-16(12-25-19)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3
InChIKeyNOCZDHRMHNTZBL-UHFFFAOYSA-N
XLogP5.25
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.33
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide?
The IUPAC name of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide (CID 22433390) is N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide.
What is the SMILES notation for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide?
The canonical SMILES for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide is CCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1.
What is the InChIKey of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide?
The InChIKey is NOCZDHRMHNTZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN2O2S/c1-3-22(18(23)15-6-4-5-7-17(15)24-2)19-21-16(12-25-19)13-8-10-14(20)11-9-13/h4-12H,3H2,1-2H3.
What are the key properties of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide?
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide has a molecular weight of 417.33 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-N-ethyl-2-methoxybenzamide is sourced from PubChem (CID 22433390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).